From b2f069673bcaac09fbd6f47d4e3c3b991393ac41 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Tue, 24 Mar 2020 08:19:33 +0200 Subject: [PATCH 1/2] Work towards implementing the superposition of fitted atomic potentials initial guess. --- pyscf/gto/basis/__init__.py | 9 +- pyscf/gto/basis/grasp_large.dat | 2425 ++++++++++++++++++++++++++++++ pyscf/gto/basis/grasp_small.dat | 1421 +++++++++++++++++ pyscf/gto/basis/helfem_large.dat | 2102 ++++++++++++++++++++++++++ pyscf/gto/basis/helfem_small.dat | 1413 +++++++++++++++++ pyscf/scf/dhf.py | 10 + pyscf/scf/hf.py | 25 +- pyscf/scf/rohf.py | 6 + pyscf/scf/sapfit.py | 115 ++ pyscf/scf/uhf.py | 21 + 10 files changed, 7544 insertions(+), 3 deletions(-) create mode 100644 pyscf/gto/basis/grasp_large.dat create mode 100644 pyscf/gto/basis/grasp_small.dat create mode 100644 pyscf/gto/basis/helfem_large.dat create mode 100644 pyscf/gto/basis/helfem_small.dat create mode 100644 pyscf/scf/sapfit.py diff --git a/pyscf/gto/basis/__init__.py b/pyscf/gto/basis/__init__.py index 829aeb02e8..1902ae542b 100644 --- a/pyscf/gto/basis/__init__.py +++ b/pyscf/gto/basis/__init__.py @@ -274,6 +274,11 @@ 'bfdv5z' : 'bfd_v5z.dat', 'bfd' : 'bfd_pp.dat', 'bfdpp' : 'bfd_pp.dat', +# Atomic potential + 'graspsmall' : 'grasp_small.dat', + 'grasplarge' : 'grasp_large.dat', + 'helfemsmall' : 'helfem_small.dat', + 'helfemlarge' : 'helfem_large.dat', # 'ccpcvdzf12optri': os.path.join('f12-basis', 'cc-pCVDZ-F12-OptRI.dat'), 'ccpcvtzf12optri': os.path.join('f12-basis', 'cc-pCVTZ-F12-OptRI.dat'), @@ -297,7 +302,7 @@ 'pobtzvp' : 'pob-tzvp.dat', 'pobtzvpp' : 'pob-tzvpp.dat', 'crystalccpvdz' : 'crystal-cc-pvdz.dat', -# ccECP +# ccECP 'ccecp' : join('ccecp-basis', 'ccECP', 'ccECP.dat' ), 'ccecpccpvdz' : join('ccecp-basis', 'ccECP', 'ccECP_cc-pVDZ.dat'), 'ccecpccpvtz' : join('ccecp-basis', 'ccECP', 'ccECP_cc-pVTZ.dat'), @@ -309,7 +314,7 @@ 'ccecpaugccpvqz': join('ccecp-basis', 'ccECP', 'ccECP_aug-cc-pVQZ.dat'), 'ccecpaugccpv5z': join('ccecp-basis', 'ccECP', 'ccECP_aug-cc-pV5Z.dat'), 'ccecpaugccpv6z': join('ccecp-basis', 'ccECP', 'ccECP_aug-cc-pV6Z.dat'), -# ccECP_He_core +# ccECP_He_core 'ccecphe' : join('ccecp-basis', 'ccECP_He_core', 'ccECP.dat' ), 'ccecpheccpvdz' : join('ccecp-basis', 'ccECP_He_core', 'ccECP_cc-pVDZ.dat'), 'ccecpheccpvtz' : join('ccecp-basis', 'ccECP_He_core', 'ccECP_cc-pVTZ.dat'), diff --git a/pyscf/gto/basis/grasp_large.dat b/pyscf/gto/basis/grasp_large.dat new file mode 100644 index 0000000000..f91698cf79 --- /dev/null +++ b/pyscf/gto/basis/grasp_large.dat @@ -0,0 +1,2425 @@ +BASIS "ao basis" PRINT +#BASIS SET: (5s) -> [1s] +H s +2.177953337809369e-02 -2.768309573178840e-01 +4.268788542106363e-02 3.603426650181518e-02 +8.366825542528468e-02 -1.170237636019692e+00 +1.639897806335580e-01 1.421506092626373e+00 +3.214199700417737e-01 -1.010471765790612e+00 +#BASIS SET: (7s) -> [1s] +He s +2.177953337809369e-02 -7.946572421811879e-01 +4.268788542106363e-02 1.057401714033404e+00 +8.366825542528468e-02 -2.067227582014311e+00 +1.639897806335580e-01 2.350132028455846e+00 +3.214199700417737e-01 -2.821161023517561e+00 +6.299831412818762e-01 1.817563953477475e+00 +1.234766956912478e+00 -1.542051848253664e+00 +#BASIS SET: (10s) -> [1s] +Li s +1.111200682555800e-02 -1.142912642170813e+00 +2.177953337809369e-02 6.779797381495882e-01 +4.268788542106363e-02 -1.114682458472089e+00 +8.366825542528468e-02 1.583269444454345e+00 +1.639897806335580e-01 -2.026625398721080e+00 +3.214199700417737e-01 2.208779125241563e+00 +6.299831412818762e-01 -2.531087076204130e+00 +1.234766956912478e+00 -5.551791401376249e-01 +2.420143235548455e+00 1.600681391442777e+00 +4.743480741674971e+00 -1.700222983582535e+00 +#BASIS SET: (11s) -> [1s] +Be s +1.111200682555800e-02 -2.089845539685484e-01 +2.177953337809369e-02 -7.079296918163891e-01 +4.268788542106363e-02 -2.938019882567460e-01 +8.366825542528468e-02 1.719007336068898e-01 +1.639897806335580e-01 -5.651463516987860e-01 +3.214199700417737e-01 -5.575692522688769e-01 +6.299831412818762e-01 1.596627478720620e-01 +1.234766956912478e+00 3.612347596790642e-01 +2.420143235548455e+00 -3.368447790562641e+00 +4.743480741674971e+00 2.975433851563139e+00 +9.297222253682943e+00 -1.966352464149168e+00 +#BASIS SET: (11s) -> [1s] +B s +2.177953337809369e-02 -9.909523547503341e-01 +4.268788542106363e-02 6.457223838006030e-01 +8.366825542528468e-02 -1.744925827340921e+00 +1.639897806335580e-01 1.465530636371113e+00 +3.214199700417737e-01 -2.617183194553945e+00 +6.299831412818762e-01 5.470780713949353e-01 +1.234766956912478e+00 -4.861265923827887e-01 +2.420143235548455e+00 1.194761440856382e-01 +4.743480741674971e+00 -2.448889164195862e+00 +9.297222253682943e+00 1.985059531638399e+00 +1.822255561721856e+01 -1.474789634066838e+00 +#BASIS SET: (11s) -> [1s] +C s +2.177953337809369e-02 -4.911950206951587e-01 +4.268788542106363e-02 -1.525496856047539e-01 +8.366825542528468e-02 -9.510323930007871e-01 +1.639897806335580e-01 7.960835311096162e-01 +3.214199700417737e-01 -2.402418208133895e+00 +6.299831412818762e-01 8.525783139048144e-01 +1.234766956912478e+00 -3.835775153362192e+00 +2.420143235548455e+00 4.979334663134068e+00 +4.743480741674971e+00 -6.642109658161644e+00 +9.297222253682943e+00 4.198028417740716e+00 +1.822255561721856e+01 -2.350944806930784e+00 +#BASIS SET: (12s) -> [1s] +N s +2.177953337809369e-02 -2.154240264353575e-01 +4.268788542106363e-02 -5.016366942145396e-01 +8.366825542528468e-02 -4.063227226724848e-01 +1.639897806335580e-01 -2.445303262211382e-01 +3.214199700417737e-01 -5.711201090598479e-01 +6.299831412818762e-01 -1.823233554256149e+00 +1.234766956912478e+00 -1.018871675361879e+00 +2.420143235548455e+00 -7.917657488724217e-01 +4.743480741674971e+00 1.331092550768517e+00 +9.297222253682943e+00 -3.504642125801183e+00 +1.822255561721856e+01 2.247895632986911e+00 +3.571620900974838e+01 -1.501441200860427e+00 +#BASIS SET: (11s) -> [1s] +O s +4.268788542106363e-02 -8.921893237093173e-01 +8.366825542528468e-02 4.487607834598748e-01 +1.639897806335580e-01 -1.673815478483448e+00 +3.214199700417737e-01 1.362985288491473e+00 +6.299831412818762e-01 -3.799508979427628e+00 +1.234766956912478e+00 7.842019144445658e-01 +2.420143235548455e+00 -4.465802781749517e+00 +4.743480741674971e+00 4.730469031259418e+00 +9.297222253682943e+00 -5.814122536685318e+00 +1.822255561721856e+01 3.336630565900123e+00 +3.571620900974838e+01 -2.017608483500226e+00 +#BASIS SET: (11s) -> [1s] +F s +4.268788542106363e-02 -5.511644882062683e-01 +8.366825542528468e-02 -1.009193374193273e-01 +1.639897806335580e-01 -1.079144646530040e+00 +3.214199700417737e-01 8.478087456314825e-01 +6.299831412818762e-01 -3.132045363076031e+00 +1.234766956912478e+00 3.347945808200166e-01 +2.420143235548455e+00 -5.552967020776123e+00 +4.743480741674971e+00 4.898728610016406e+00 +9.297222253682943e+00 -5.737331046257168e+00 +1.822255561721856e+01 3.441122951102443e+00 +3.571620900974838e+01 -2.368882985305390e+00 +#BASIS SET: (12s) -> [1s] +Ne s +4.268788542106363e-02 -3.170178640539234e-01 +8.366825542528468e-02 -4.659958068514243e-01 +1.639897806335580e-01 -4.608879213337786e-01 +3.214199700417737e-01 -2.828736323863268e-01 +6.299831412818762e-01 -9.315848803380504e-01 +1.234766956912478e+00 -2.814362858422101e+00 +2.420143235548455e+00 -1.625287881586701e+00 +4.743480741674971e+00 -2.270305056357756e+00 +9.297222253682943e+00 2.482153296237811e+00 +1.822255561721856e+01 -3.934427793137729e+00 +3.571620900974838e+01 2.081985464785248e+00 +7.000376965910681e+01 -1.461395066555269e+00 +#BASIS SET: (15s) -> [1s] +Na s +5.669391237529597e-03 -1.769279767650005e-01 +1.111200682555800e-02 -7.138972315733554e-01 +2.177953337809369e-02 -3.027671867166646e-01 +4.268788542106363e-02 6.564738443121314e-01 +8.366825542528468e-02 -8.353433851152658e-01 +1.639897806335580e-01 1.028619469143450e+00 +3.214199700417737e-01 -1.881800230592489e+00 +6.299831412818762e-01 -2.433894799789414e+00 +1.234766956912478e+00 1.727077492512763e+00 +2.420143235548455e+00 -5.248922590631992e+00 +4.743480741674971e+00 -1.322833830490708e+00 +9.297222253682943e+00 1.643391803372651e+00 +1.822255561721856e+01 -3.416073082247749e+00 +3.571620900974838e+01 1.936791898217052e+00 +7.000376965910681e+01 -1.659894193635409e+00 +#BASIS SET: (14s) -> [1s] +Mg s +1.111200682555800e-02 -5.521919361963228e-01 +2.177953337809369e-02 -5.564820160507225e-01 +4.268788542106363e-02 -3.160671383375302e-01 +8.366825542528468e-02 5.370550211519003e-01 +1.639897806335580e-01 -1.789895566646010e+00 +3.214199700417737e-01 1.493119615595788e+00 +6.299831412818762e-01 -2.963496670592576e+00 +1.234766956912478e+00 -2.343356286641210e+00 +2.420143235548455e+00 2.201683716848493e+00 +4.743480741674971e+00 -8.735154144465923e+00 +9.297222253682943e+00 5.943739824695513e+00 +1.822255561721856e+01 -5.897860797354952e+00 +3.571620900974838e+01 3.183307196013629e+00 +7.000376965910681e+01 -2.204400818020076e+00 +#BASIS SET: (14s) -> [1s] +Al s +1.111200682555800e-02 -7.432550235389499e-01 +2.177953337809369e-02 1.534258693573065e-02 +4.268788542106363e-02 -7.544919502688572e-01 +8.366825542528468e-02 8.569206704851240e-02 +1.639897806335580e-01 -1.079404093557969e+00 +3.214199700417737e-01 -1.467690132558346e+00 +6.299831412818762e-01 2.478537113871425e+00 +1.234766956912478e+00 -7.946175728458911e+00 +2.420143235548455e+00 5.894520180299878e+00 +4.743480741674971e+00 -9.508662286214530e+00 +9.297222253682943e+00 4.421859344234690e+00 +1.822255561721856e+01 -5.030064429622144e+00 +3.571620900974838e+01 3.135182342492044e+00 +7.000376965910681e+01 -2.501389990662574e+00 +#BASIS SET: (15s) -> [1s] +Si s +1.111200682555800e-02 -2.910631037557323e-01 +2.177953337809369e-02 -6.888436131412163e-01 +4.268788542106363e-02 -2.459698810707778e-01 +8.366825542528468e-02 -4.301672542933375e-01 +1.639897806335580e-01 -5.955227508675307e-01 +3.214199700417737e-01 -2.641483187675476e+00 +6.299831412818762e-01 1.663417544215918e+00 +1.234766956912478e+00 -3.077666556928307e+00 +2.420143235548455e+00 -2.981770044658333e+00 +4.743480741674971e+00 2.199941333848983e+00 +9.297222253682943e+00 -8.314617643132806e+00 +1.822255561721856e+01 6.060391250532120e+00 +3.571620900974838e+01 -5.646762868622318e+00 +7.000376965910681e+01 2.564631203422323e+00 +1.372073885318493e+02 -1.574514427873510e+00 +#BASIS SET: (14s) -> [1s] +P s +2.177953337809369e-02 -1.103411071511800e+00 +4.268788542106363e-02 3.793128442484885e-01 +8.366825542528468e-02 -1.493704216554761e+00 +1.639897806335580e-01 5.876534041017294e-01 +3.214199700417737e-01 -3.462250145385042e+00 +6.299831412818762e-01 -5.707822274416685e-01 +1.234766956912478e+00 1.481800239067525e+00 +2.420143235548455e+00 -7.816365325357765e+00 +4.743480741674971e+00 5.752276333980262e+00 +9.297222253682943e+00 -9.896630123723298e+00 +1.822255561721856e+01 5.529011890292168e+00 +3.571620900974838e+01 -5.020686508854851e+00 +7.000376965910681e+01 2.338500435231254e+00 +1.372073885318493e+02 -1.704725528092240e+00 +#BASIS SET: (14s) -> [1s] +S s +2.177953337809369e-02 -5.995984979599598e-01 +4.268788542106363e-02 -5.267266356968321e-01 +8.366825542528468e-02 -4.689805259695277e-01 +1.639897806335580e-01 -6.231725895777345e-01 +3.214199700417737e-01 -1.612423906568438e+00 +6.299831412818762e-01 -4.290996685624123e+00 +1.234766956912478e+00 4.259796158876270e+00 +2.420143235548455e+00 -8.025827186182141e+00 +4.743480741674971e+00 3.440367821604013e+00 +9.297222253682943e+00 -6.066921482328326e+00 +1.822255561721856e+01 1.345461548771709e+00 +3.571620900974838e+01 -2.596731221070513e+00 +7.000376965910681e+01 1.496958128409460e+00 +1.372073885318493e+02 -1.731204926683859e+00 +#BASIS SET: (14s) -> [1s] +Cl s +2.177953337809369e-02 -3.197155128655140e-01 +4.268788542106363e-02 -7.903950966428965e-01 +8.366825542528468e-02 -3.601270940853283e-01 +1.639897806335580e-01 -7.117530729155988e-01 +3.214199700417737e-01 -1.165603655623272e+00 +6.299831412818762e-01 -5.122228428721428e+00 +1.234766956912478e+00 2.197850521653891e+00 +2.420143235548455e+00 -3.231426318176091e+00 +4.743480741674971e+00 -2.592058638110757e+00 +9.297222253682943e+00 -3.290199218317866e-01 +1.822255561721856e+01 -3.099952175281942e+00 +3.571620900974838e+01 -6.451195054687560e-01 +7.000376965910681e+01 1.043737615807913e+00 +1.372073885318493e+02 -1.874188717738434e+00 +#BASIS SET: (14s) -> [1s] +Ar s +2.177953337809369e-02 -1.702398215056746e-01 +4.268788542106363e-02 -7.508997903496493e-01 +8.366825542528468e-02 -5.937206776579842e-01 +1.639897806335580e-01 -4.106102900113910e-01 +3.214199700417737e-01 -1.330345778027549e+00 +6.299831412818762e-01 -4.415322274900973e+00 +1.234766956912478e+00 -1.681533179245889e+00 +2.420143235548455e+00 1.791267566382885e+00 +4.743480741674971e+00 -6.908718566875905e+00 +9.297222253682943e+00 2.422187507618219e+00 +1.822255561721856e+01 -4.278048428706825e+00 +3.571620900974838e+01 -1.133343189023435e+00 +7.000376965910681e+01 1.749649413861334e+00 +1.372073885318493e+02 -2.290322491557163e+00 +#BASIS SET: (16s) -> [1s] +K s +5.669391237529597e-03 -5.061010302088107e-01 +1.111200682555800e-02 -7.795268360350747e-01 +2.177953337809369e-02 4.353433569194749e-01 +4.268788542106363e-02 -2.620899158064276e-01 +8.366825542528468e-02 6.880661167670041e-01 +1.639897806335580e-01 -1.999276339076459e+00 +3.214199700417737e-01 -3.875400672666728e+00 +6.299831412818762e-01 3.044102978892624e+00 +1.234766956912478e+00 -1.082011095806956e+01 +2.420143235548455e+00 8.500346262007952e+00 +4.743480741674971e+00 -1.052987603656948e+01 +9.297222253682943e+00 3.397104149684310e+00 +1.822255561721856e+01 -3.568734836764634e+00 +3.571620900974838e+01 -2.894819325767457e+00 +7.000376965910681e+01 2.999483692925423e+00 +1.372073885318493e+02 -2.828510606232157e+00 +#BASIS SET: (16s) -> [1s] +Ca s +5.669391237529597e-03 -1.616400569764664e-01 +1.111200682555800e-02 -8.141986197151709e-01 +2.177953337809369e-02 -7.288931412622333e-01 +4.268788542106363e-02 1.066557366400957e+00 +8.366825542528468e-02 -2.309982050443068e+00 +1.639897806335580e-01 2.599878834560513e+00 +3.214199700417737e-01 -6.796977892518044e+00 +6.299831412818762e-01 1.786680406890810e+00 +1.234766956912478e+00 -5.479682439006865e+00 +2.420143235548455e+00 -1.333406362682581e-01 +4.743480741674971e+00 -7.511672899127007e-01 +9.297222253682943e+00 -6.116116886958480e+00 +1.822255561721856e+01 4.433692207094282e+00 +3.571620900974838e+01 -8.800070063676685e+00 +7.000376965910681e+01 5.933970549609512e+00 +1.372073885318493e+02 -3.728710287818103e+00 +#BASIS SET: (16s) -> [1s] +Sc s +5.669391237529597e-03 -9.906429676630069e-02 +1.111200682555800e-02 -7.292732068453915e-01 +2.177953337809369e-02 -7.681731530465186e-01 +4.268788542106363e-02 7.169211595319211e-01 +8.366825542528468e-02 -1.456497951177880e+00 +1.639897806335580e-01 6.633535777218640e-01 +3.214199700417737e-01 -3.353082011919469e+00 +6.299831412818762e-01 -2.512590747326612e+00 +1.234766956912478e+00 -1.544485877268016e+00 +2.420143235548455e+00 -5.334654131904244e+00 +4.743480741674971e+00 4.930977651849389e+00 +9.297222253682943e+00 -1.150531866680831e+01 +1.822255561721856e+01 8.861310875974596e+00 +3.571620900974838e+01 -1.217478621564806e+01 +7.000376965910681e+01 7.655161409871653e+00 +1.372073885318493e+02 -4.349798416238627e+00 +#BASIS SET: (16s) -> [1s] +Ti s +1.111200682555800e-02 -9.349339072505245e-01 +2.177953337809369e-02 -1.892772209248506e-01 +4.268788542106363e-02 -3.732925575459376e-01 +8.366825542528468e-02 7.714389567263424e-02 +1.639897806335580e-01 -1.323908010963351e+00 +3.214199700417737e-01 -9.404821065254509e-01 +6.299831412818762e-01 -4.698283936828375e+00 +1.234766956912478e+00 -2.504935078322887e-01 +2.420143235548455e+00 -7.223636928014457e+00 +4.743480741674971e+00 5.547694359906018e+00 +9.297222253682943e+00 -9.777323407121003e+00 +1.822255561721856e+01 4.361629529856145e+00 +3.571620900974838e+01 -5.717736714519560e+00 +7.000376965910681e+01 6.722146179527044e-01 +1.372073885318493e+02 2.728700893931091e-01 +2.689264815224247e+02 -1.502184195254813e+00 +#BASIS SET: (16s) -> [1s] +V s +1.111200682555800e-02 -7.744611915113637e-01 +2.177953337809369e-02 -3.792278332402930e-01 +4.268788542106363e-02 -3.123145223362371e-01 +8.366825542528468e-02 2.272666147910058e-01 +1.639897806335580e-01 -1.708692903164774e+00 +3.214199700417737e-01 -2.432173597626388e-01 +6.299831412818762e-01 -5.315972865559161e+00 +1.234766956912478e+00 1.448954017832875e-01 +2.420143235548455e+00 -8.772105422802269e+00 +4.743480741674971e+00 6.123656834475696e+00 +9.297222253682943e+00 -9.092505216598511e+00 +1.822255561721856e+01 2.719072144478559e+00 +3.571620900974838e+01 -3.894434778019786e+00 +7.000376965910681e+01 -1.152158428914845e+00 +1.372073885318493e+02 1.346592436311767e+00 +2.689264815224247e+02 -1.916392909930437e+00 +#BASIS SET: (16s) -> [1s] +Cr s +1.111200682555800e-02 -6.504627172762412e-01 +2.177953337809369e-02 -5.065896147862077e-01 +4.268788542106363e-02 -2.813334371894598e-01 +8.366825542528468e-02 3.134462456218898e-01 +1.639897806335580e-01 -1.836260091513395e+00 +3.214199700417737e-01 -4.700362682342529e-03 +6.299831412818762e-01 -5.326418627053499e+00 +1.234766956912478e+00 -5.804556328803301e-02 +2.420143235548455e+00 -9.296387951821089e+00 +4.743480741674971e+00 4.975423095747828e+00 +9.297222253682943e+00 -6.613972135819495e+00 +1.822255561721856e+01 -3.799582319334149e-01 +3.571620900974838e+01 -1.067062961868942e+00 +7.000376965910681e+01 -3.523643007967621e+00 +1.372073885318493e+02 2.633784971432760e+00 +2.689264815224247e+02 -2.377819609602739e+00 +#BASIS SET: (16s) -> [1s] +Mn s +1.111200682555800e-02 -5.509906185470754e-01 +2.177953337809369e-02 -5.957888223347254e-01 +4.268788542106363e-02 -2.599399761529639e-01 +8.366825542528468e-02 3.370881602168083e-01 +1.639897806335580e-01 -1.782306155655533e+00 +3.214199700417737e-01 -6.132165342569351e-02 +6.299831412818762e-01 -4.952798940241337e+00 +1.234766956912478e+00 -6.637441264465451e-01 +2.420143235548455e+00 -9.007293416187167e+00 +4.743480741674971e+00 2.592708651907742e+00 +9.297222253682943e+00 -3.156250062398612e+00 +1.822255561721856e+01 -4.011062863282859e+00 +3.571620900974838e+01 1.957744294777513e+00 +7.000376965910681e+01 -5.906569692771882e+00 +1.372073885318493e+02 3.892388925421983e+00 +2.689264815224247e+02 -2.831863704879652e+00 +#BASIS SET: (16s) -> [1s] +Fe s +1.111200682555800e-02 -4.693626330772531e-01 +2.177953337809369e-02 -6.589131766231731e-01 +4.268788542106363e-02 -2.426702842349187e-01 +8.366825542528468e-02 3.146432980429381e-01 +1.639897806335580e-01 -1.615029783919454e+00 +3.214199700417737e-01 -2.888109297491610e-01 +6.299831412818762e-01 -4.366157830692828e+00 +1.234766956912478e+00 -1.490192553959787e+00 +2.420143235548455e+00 -8.182889753952622e+00 +4.743480741674971e+00 -4.606668241322041e-01 +9.297222253682943e+00 4.936471218243241e-01 +1.822255561721856e+01 -7.394803872331977e+00 +3.571620900974838e+01 4.569561669602990e+00 +7.000376965910681e+01 -7.928268475458026e+00 +1.372073885318493e+02 4.964171825908124e+00 +2.689264815224247e+02 -3.244257797246973e+00 +#BASIS SET: (16s) -> [1s] +Co s +1.111200682555800e-02 -4.014413796467124e-01 +2.177953337809369e-02 -7.025014146929607e-01 +4.268788542106363e-02 -2.297496078535914e-01 +8.366825542528468e-02 2.652792476583272e-01 +1.639897806335580e-01 -1.390462975017726e+00 +3.214199700417737e-01 -5.922359907999635e-01 +6.299831412818762e-01 -3.700038628652692e+00 +1.234766956912478e+00 -2.377418524585664e+00 +2.420143235548455e+00 -7.097361871041358e+00 +4.743480741674971e+00 -3.681473076343536e+00 +9.297222253682943e+00 3.727795801125467e+00 +1.822255561721856e+01 -1.001669047027826e+01 +3.571620900974838e+01 6.423929230310023e+00 +7.000376965910681e+01 -9.407910708803684e+00 +1.372073885318493e+02 5.782220988301560e+00 +2.689264815224247e+02 -3.601940619679226e+00 +#BASIS SET: (16s) -> [1s] +Ni s +1.111200682555800e-02 -3.444425407215022e-01 +2.177953337809369e-02 -7.305140013340861e-01 +4.268788542106363e-02 -2.228883352363482e-01 +8.366825542528468e-02 2.054020378272980e-01 +1.639897806335580e-01 -1.150257280096412e+00 +3.214199700417737e-01 -9.039888377301395e-01 +6.299831412818762e-01 -3.050309604033828e+00 +1.234766956912478e+00 -3.204427784308791e+00 +2.420143235548455e+00 -5.971029653213918e+00 +4.743480741674971e+00 -6.696774677373469e+00 +9.297222253682943e+00 6.169825789518654e+00 +1.822255561721856e+01 -1.164030425157398e+01 +3.571620900974838e+01 7.423636181280017e+00 +7.000376965910681e+01 -1.032940477412194e+01 +1.372073885318493e+02 6.354062156984583e+00 +2.689264815224247e+02 -3.908584425866138e+00 +#BASIS SET: (16s) -> [1s] +Cu s +1.111200682555800e-02 -2.963538898547995e-01 +2.177953337809369e-02 -7.457287202705629e-01 +4.268788542106363e-02 -2.234353142557666e-01 +8.366825542528468e-02 1.466711622197181e-01 +1.639897806335580e-01 -9.219540306366980e-01 +3.214199700417737e-01 -1.181265139952302e+00 +6.299831412818762e-01 -2.476799974218011e+00 +1.234766956912478e+00 -3.895422523841262e+00 +2.420143235548455e+00 -4.951742770150304e+00 +4.743480741674971e+00 -9.278111073188484e+00 +9.297222253682943e+00 7.659445569850504e+00 +1.822255561721856e+01 -1.225800892990083e+01 +3.571620900974838e+01 7.655282967723906e+00 +7.000376965910681e+01 -1.078957011178136e+01 +1.372073885318493e+02 6.735179935814813e+00 +2.689264815224247e+02 -4.178187157558568e+00 +#BASIS SET: (16s) -> [1s] +Zn s +1.111200682555800e-02 -2.556311265288969e-01 +2.177953337809369e-02 -7.503825472085737e-01 +4.268788542106363e-02 -2.317687474424019e-01 +8.366825542528468e-02 9.592613321729004e-02 +1.639897806335580e-01 -7.210108521394432e-01 +3.214199700417737e-01 -1.401812239084393e+00 +6.299831412818762e-01 -2.008723070845008e+00 +1.234766956912478e+00 -4.415967864915729e+00 +2.420143235548455e+00 -4.118164522573352e+00 +4.743480741674971e+00 -1.132319016195834e+01 +9.297222253682943e+00 8.204065084457397e+00 +1.822255561721856e+01 -1.201854559220374e+01 +3.571620900974838e+01 7.315279190428555e+00 +7.000376965910681e+01 -1.094422036455944e+01 +1.372073885318493e+02 7.003221887396649e+00 +2.689264815224247e+02 -4.429075206040579e+00 +#BASIS SET: (17s) -> [1s] +Ga s +1.111200682555800e-02 -7.670983592979610e-01 +2.177953337809369e-02 1.356233658152632e-01 +4.268788542106363e-02 -8.523433683440089e-01 +8.366825542528468e-02 4.123966014012694e-01 +1.639897806335580e-01 -1.873772412538528e+00 +3.214199700417737e-01 -1.752649564296007e-01 +6.299831412818762e-01 -2.706596141681075e+00 +1.234766956912478e+00 -3.764137489721179e+00 +2.420143235548455e+00 -4.046166526153684e+00 +4.743480741674971e+00 -1.079700443148613e+01 +9.297222253682943e+00 3.628699384629726e+00 +1.822255561721856e+01 -4.366622969508171e+00 +3.571620900974838e+01 -2.825484875589609e+00 +7.000376965910681e+01 4.952955842018127e-01 +1.372073885318493e+02 -3.728712730109692e+00 +2.689264815224247e+02 2.288571231067181e+00 +5.270959037839524e+02 -2.057381906255614e+00 +#BASIS SET: (17s) -> [1s] +Ge s +1.111200682555800e-02 -3.509710244397866e-01 +2.177953337809369e-02 -6.416793233365752e-01 +4.268788542106363e-02 -2.838757851859555e-01 +8.366825542528468e-02 -2.306146395858377e-01 +1.639897806335580e-01 -1.127523745410144e+00 +3.214199700417737e-01 -1.984224622137845e+00 +6.299831412818762e-01 -3.233868516981602e-01 +1.234766956912478e+00 -6.053741266950965e+00 +2.420143235548455e+00 -1.432983092963696e+00 +4.743480741674971e+00 -1.231332173570991e+01 +9.297222253682943e+00 2.024602985009551e+00 +1.822255561721856e+01 -1.985366683453321e+00 +3.571620900974838e+01 -5.067230433225632e+00 +7.000376965910681e+01 2.141535193659365e+00 +1.372073885318493e+02 -5.024944093078375e+00 +2.689264815224247e+02 2.993724139407277e+00 +5.270959037839524e+02 -2.339999020899995e+00 +#BASIS SET: (17s) -> [1s] +As s +1.111200682555800e-02 -1.488612157045281e-01 +2.177953337809369e-02 -7.542159733129665e-01 +4.268788542106363e-02 -3.990039664786309e-01 +8.366825542528468e-02 -4.064519749954343e-01 +1.639897806335580e-01 -5.829460630193353e-01 +3.214199700417737e-01 -3.404506738297641e+00 +6.299831412818762e-01 6.326700523495674e-01 +1.234766956912478e+00 -6.051945033483207e+00 +2.420143235548455e+00 -1.939664825797081e+00 +4.743480741674971e+00 -1.013965687341988e+01 +9.297222253682943e+00 -2.714593777433038e+00 +1.822255561721856e+01 2.469267847016454e+00 +3.571620900974838e+01 -8.591145040467381e+00 +7.000376965910681e+01 4.567652834579349e+00 +1.372073885318493e+02 -6.749262510798872e+00 +2.689264815224247e+02 3.876093868166208e+00 +5.270959037839524e+02 -2.663430608903582e+00 +#BASIS SET: (16s) -> [1s] +Se s +2.177953337809369e-02 -8.871487629076000e-01 +4.268788542106363e-02 -1.040734580601566e-01 +8.366825542528468e-02 -1.214685587212443e+00 +1.639897806335580e-01 5.371431359089911e-01 +3.214199700417737e-01 -4.684281795285642e+00 +6.299831412818762e-01 3.323574429377913e-01 +1.234766956912478e+00 -4.374952888116241e+00 +2.420143235548455e+00 -4.268663890659809e+00 +4.743480741674971e+00 -6.324661390855908e+00 +9.297222253682943e+00 -8.153034063056111e+00 +1.822255561721856e+01 6.705412419512868e+00 +3.571620900974838e+01 -1.155178935267031e+01 +7.000376965910681e+01 6.466416305862367e+00 +1.372073885318493e+02 -8.127312824130058e+00 +2.689264815224247e+02 4.604056089185178e+00 +5.270959037839524e+02 -2.954781380452914e+00 +#BASIS SET: (16s) -> [1s] +Br s +2.177953337809369e-02 -5.486280537588755e-01 +4.268788542106363e-02 -6.411268793162890e-01 +8.366825542528468e-02 -7.161748071666807e-01 +1.639897806335580e-01 -1.046602679416537e-01 +3.214199700417737e-01 -3.541694879997522e+00 +6.299831412818762e-01 -2.727620135992765e+00 +1.234766956912478e+00 -5.730914920568466e-01 +2.420143235548455e+00 -7.991326497867703e+00 +4.743480741674971e+00 -1.917054623365402e+00 +9.297222253682943e+00 -1.306094273924828e+01 +1.822255561721856e+01 9.694363340735435e+00 +3.571620900974838e+01 -1.322985902614892e+01 +7.000376965910681e+01 7.385348232463002e+00 +1.372073885318493e+02 -8.911862112581730e+00 +2.689264815224247e+02 5.076894975733012e+00 +5.270959037839524e+02 -3.192565033488791e+00 +#BASIS SET: (16s) -> [1s] +Kr s +2.177953337809369e-02 -3.283461655519204e-01 +4.268788542106363e-02 -8.707952729309909e-01 +8.366825542528468e-02 -5.274281164165586e-01 +1.639897806335580e-01 -5.639640805311501e-01 +3.214199700417737e-01 -2.299319308716804e+00 +6.299831412818762e-01 -5.633849157951772e+00 +1.234766956912478e+00 2.073662298731506e+00 +2.420143235548455e+00 -9.860299987718463e+00 +4.743480741674971e+00 1.088792458176613e-01 +9.297222253682943e+00 -1.498919514939189e+01 +1.822255561721856e+01 9.644148031249642e+00 +3.571620900974838e+01 -1.241244118474424e+01 +7.000376965910681e+01 6.555383104830980e+00 +1.372073885318493e+02 -8.675979916006327e+00 +2.689264815224247e+02 5.118399610742927e+00 +5.270959037839524e+02 -3.338853951412602e+00 +#BASIS SET: (18s) -> [1s] +Rb s +5.669391237529597e-03 -6.521556336592766e-01 +1.111200682555800e-02 -7.024354051682167e-01 +2.177953337809369e-02 6.781691802898422e-01 +4.268788542106363e-02 -8.680390398949385e-01 +8.366825542528468e-02 2.121483665425330e+00 +1.639897806335580e-01 -6.715867939405143e+00 +3.214199700417737e-01 2.918903470970690e+00 +6.299831412818762e-01 -7.055123192258179e+00 +1.234766956912478e+00 4.699449706822634e-01 +2.420143235548455e+00 -7.088032880797982e+00 +4.743480741674971e+00 -2.485621098428965e+00 +9.297222253682943e+00 -1.236182844452560e+01 +1.822255561721856e+01 5.620715653523803e+00 +3.571620900974838e+01 -8.603512231260538e+00 +7.000376965910681e+01 3.722629038617015e+00 +1.372073885318493e+02 -7.298788144253194e+00 +2.689264815224247e+02 4.684543548617512e+00 +5.270959037839524e+02 -3.384985518474423e+00 +#BASIS SET: (18s) -> [1s] +Sr s +5.669391237529597e-03 -2.334263133961940e-01 +1.111200682555800e-02 -1.053561371634714e+00 +2.177953337809369e-02 -1.370603684335947e-01 +4.268788542106363e-02 1.451081817504019e-01 +8.366825542528468e-02 -8.756326683796942e-01 +1.639897806335580e-01 5.096626840531826e-02 +3.214199700417737e-01 -6.232952256686985e+00 +6.299831412818762e-01 1.321295584551990e+00 +1.234766956912478e+00 -5.714586907997727e+00 +2.420143235548455e+00 -2.678285755217075e+00 +4.743480741674971e+00 -5.653992088511586e+00 +9.297222253682943e+00 -9.398524427786469e+00 +1.822255561721856e+01 1.552355045452714e+00 +3.571620900974838e+01 -5.082083420827985e+00 +7.000376965910681e+01 1.288187699392438e+00 +1.372073885318493e+02 -6.231634113937616e+00 +2.689264815224247e+02 4.403694741893560e+00 +5.270959037839524e+02 -3.469867828636779e+00 +#BASIS SET: (18s) -> [1s] +Y s +5.669391237529597e-03 -1.312989145080792e-01 +1.111200682555800e-02 -8.754830574034713e-01 +2.177953337809369e-02 -5.952933368971571e-01 +4.268788542106363e-02 4.933762643486261e-01 +8.366825542528468e-02 -1.401300070807338e+00 +1.639897806335580e-01 7.675959262996912e-02 +3.214199700417737e-01 -4.874921216629446e+00 +6.299831412818762e-01 -1.911514898762107e+00 +1.234766956912478e+00 -2.745943868532777e+00 +2.420143235548455e+00 -4.604153960943222e+00 +4.743480741674971e+00 -4.246485013514757e+00 +9.297222253682943e+00 -9.859688509255648e+00 +1.822255561721856e+01 3.052909653633833e-01 +3.571620900974838e+01 -3.981312543153763e+00 +7.000376965910681e+01 7.063352875411510e-01 +1.372073885318493e+02 -6.316080661490560e+00 +2.689264815224247e+02 4.633044349029660e+00 +5.270959037839524e+02 -3.671330407014466e+00 +#BASIS SET: (18s) -> [1s] +Zr s +1.111200682555800e-02 -1.120668148592813e+00 +2.177953337809369e-02 3.574929322348908e-02 +4.268788542106363e-02 -6.559829860925674e-01 +8.366825542528468e-02 5.779424309730530e-02 +1.639897806335580e-01 -1.823696983978152e+00 +3.214199700417737e-01 -2.574045973829925e+00 +6.299831412818762e-01 -4.437714013271034e+00 +1.234766956912478e+00 -2.159258821979165e+00 +2.420143235548455e+00 -3.505830856040120e+00 +4.743480741674971e+00 -6.260428074747324e+00 +9.297222253682943e+00 -6.126723239198327e+00 +1.822255561721856e+01 -6.193615742027760e+00 +3.571620900974838e+01 4.022745382040739e+00 +7.000376965910681e+01 -9.025110971182585e+00 +1.372073885318493e+02 4.552171187475324e+00 +2.689264815224247e+02 -5.598718083463609e+00 +5.270959037839524e+02 2.780870581511408e+00 +1.033107971416546e+03 -1.967536792944884e+00 +#BASIS SET: (18s) -> [1s] +Nb s +1.111200682555800e-02 -9.131355040735798e-01 +2.177953337809369e-02 -2.673973504570313e-01 +4.268788542106363e-02 -3.892849183175713e-01 +8.366825542528468e-02 -1.076005562208593e-01 +1.639897806335580e-01 -1.809919035062194e+00 +3.214199700417737e-01 -2.501255604438484e+00 +6.299831412818762e-01 -4.464758196845651e+00 +1.234766956912478e+00 -3.865305501967669e+00 +2.420143235548455e+00 -1.310136914253235e+00 +4.743480741674971e+00 -8.004362480714917e+00 +9.297222253682943e+00 -4.131151180714369e+00 +1.822255561721856e+01 -8.918508073315024e+00 +3.571620900974838e+01 5.826439032331109e+00 +7.000376965910681e+01 -1.014069705270231e+01 +1.372073885318493e+02 5.135884860530496e+00 +2.689264815224247e+02 -6.095345562323928e+00 +5.270959037839524e+02 3.082985967863351e+00 +1.033107971416546e+03 -2.126451929318137e+00 +#BASIS SET: (18s) -> [1s] +Mo s +1.111200682555800e-02 -9.176382572186412e-01 +2.177953337809369e-02 1.021984926774167e-01 +4.268788542106363e-02 -6.726416887249798e-01 +8.366825542528468e-02 3.151245750486851e-01 +1.639897806335580e-01 -2.108711838722229e+00 +3.214199700417737e-01 -2.319099612534046e+00 +6.299831412818762e-01 -4.292873635888100e+00 +1.234766956912478e+00 -6.677212234586477e+00 +2.420143235548455e+00 1.603251565247774e+00 +4.743480741674971e+00 -9.783357711508870e+00 +9.297222253682943e+00 -2.434884142130613e+00 +1.822255561721856e+01 -1.099297125265002e+01 +3.571620900974838e+01 6.774501038715243e+00 +7.000376965910681e+01 -1.048001509159803e+01 +1.372073885318493e+02 5.151450024917722e+00 +2.689264815224247e+02 -6.254389227367938e+00 +5.270959037839524e+02 3.243601011577994e+00 +1.033107971416546e+03 -2.256332015254884e+00 +#BASIS SET: (18s) -> [1s] +Tc s +1.111200682555800e-02 -8.178034264565213e-01 +2.177953337809369e-02 -3.807423013495281e-02 +4.268788542106363e-02 -4.713791611138731e-01 +8.366825542528468e-02 1.235759472474456e-01 +1.639897806335580e-01 -1.807272132486105e+00 +3.214199700417737e-01 -2.624502185732126e+00 +6.299831412818762e-01 -3.714127879589796e+00 +1.234766956912478e+00 -8.532328141853213e+00 +2.420143235548455e+00 2.416602535173297e+00 +4.743480741674971e+00 -9.408256636932492e+00 +9.297222253682943e+00 -2.744381714612246e+00 +1.822255561721856e+01 -1.102029588818550e+01 +3.571620900974838e+01 5.807957507669926e+00 +7.000376965910681e+01 -9.288903292268515e+00 +1.372073885318493e+02 4.104270389303565e+00 +2.689264815224247e+02 -5.801286271773279e+00 +5.270959037839524e+02 3.149257155135274e+00 +1.033107971416546e+03 -2.333052573390887e+00 +#BASIS SET: (18s) -> [1s] +Ru s +1.111200682555800e-02 -7.375681912235450e-01 +2.177953337809369e-02 -1.494948977488093e-01 +4.268788542106363e-02 -3.199705819133669e-01 +8.366825542528468e-02 2.202351577579975e-02 +1.639897806335580e-01 -1.600438741967082e+00 +3.214199700417737e-01 -2.803694520145655e+00 +6.299831412818762e-01 -3.263250179588795e+00 +1.234766956912478e+00 -9.863113567233086e+00 +2.420143235548455e+00 2.101794639602304e+00 +4.743480741674971e+00 -7.854266060516238e+00 +9.297222253682943e+00 -4.127324558794498e+00 +1.822255561721856e+01 -9.925845939666033e+00 +3.571620900974838e+01 3.808263629674911e+00 +7.000376965910681e+01 -7.330562841147184e+00 +1.372073885318493e+02 2.565523140132427e+00 +2.689264815224247e+02 -5.082854777574539e+00 +5.270959037839524e+02 2.950548788532615e+00 +1.033107971416546e+03 -2.389768856199225e+00 +#BASIS SET: (18s) -> [1s] +Rh s +1.111200682555800e-02 -6.715072607912589e-01 +2.177953337809369e-02 -2.350446992204525e-01 +4.268788542106363e-02 -2.228268124163151e-01 +8.366825542528468e-02 7.218161132186651e-03 +1.639897806335580e-01 -1.491871634498239e+00 +3.214199700417737e-01 -2.840442195534706e+00 +6.299831412818762e-01 -3.001058332622051e+00 +1.234766956912478e+00 -1.059043713659048e+01 +2.420143235548455e+00 7.311918418854475e-01 +4.743480741674971e+00 -5.388017557561398e+00 +9.297222253682943e+00 -6.216152030974627e+00 +1.822255561721856e+01 -8.135608784854412e+00 +3.571620900974838e+01 1.228951912373304e+00 +7.000376965910681e+01 -5.020229360088706e+00 +1.372073885318493e+02 8.537390865385532e-01 +2.689264815224247e+02 -4.295893210917711e+00 +5.270959037839524e+02 2.733595182653517e+00 +1.033107971416546e+03 -2.445607168512652e+00 +#BASIS SET: (17s) -> [1s] +Pd s +2.177953337809369e-02 -8.815623579430394e-01 +4.268788542106363e-02 4.254395463503897e-01 +8.366825542528468e-02 -1.691212558420375e+00 +1.639897806335580e-01 1.222273038234562e+00 +3.214199700417737e-01 -4.628862095996737e+00 +6.299831412818762e-01 -1.984459058381617e+00 +1.234766956912478e+00 -1.234925115853548e+01 +2.420143235548455e+00 2.395161408931017e-01 +4.743480741674971e+00 -3.741027589887381e+00 +9.297222253682943e+00 -7.463475167751312e+00 +1.822255561721856e+01 -7.040281385183334e+00 +3.571620900974838e+01 -7.245610877871513e-01 +7.000376965910681e+01 -3.330235837027431e+00 +1.372073885318493e+02 -3.348272498697042e-01 +2.689264815224247e+02 -3.854181896895170e+00 +5.270959037839524e+02 2.676289565395564e+00 +1.033107971416546e+03 -2.539580847194884e+00 +#BASIS SET: (18s) -> [1s] +Ag s +1.111200682555800e-02 -5.693446420627879e-01 +2.177953337809369e-02 -3.443711752188392e-01 +4.268788542106363e-02 -1.579726825002581e-01 +8.366825542528468e-02 1.481924219988286e-01 +1.639897806335580e-01 -1.466194427572191e+00 +3.214199700417737e-01 -2.601868071593344e+00 +6.299831412818762e-01 -2.985015658661723e+00 +1.234766956912478e+00 -1.044915652461350e+01 +2.420143235548455e+00 -4.238375151529908e+00 +4.743480741674971e+00 6.715488024055958e-01 +9.297222253682943e+00 -1.067635453119874e+01 +1.822255561721856e+01 -4.373529568314552e+00 +3.571620900974838e+01 -3.798416823148727e+00 +7.000376965910681e+01 -9.591734092682600e-01 +1.372073885318493e+02 -1.896681433543563e+00 +2.689264815224247e+02 -3.235496786423028e+00 +5.270959037839524e+02 2.555187779944390e+00 +1.033107971416546e+03 -2.622978118699393e+00 +#BASIS SET: (18s) -> [1s] +Cd s +1.111200682555800e-02 -3.474597042222740e-01 +2.177953337809369e-02 -7.776871343958192e-01 +4.268788542106363e-02 -1.290137772448361e-01 +8.366825542528468e-02 -5.169512005522847e-02 +1.639897806335580e-01 -9.447421496734023e-01 +3.214199700417737e-01 -2.951988016255200e+00 +6.299831412818762e-01 -3.396272545680404e+00 +1.234766956912478e+00 -8.217501627281308e+00 +2.420143235548455e+00 -8.407043341547251e+00 +4.743480741674971e+00 3.867226514965296e+00 +9.297222253682943e+00 -1.242083158716559e+01 +1.822255561721856e+01 -3.066869374364614e+00 +3.571620900974838e+01 -5.578683175146580e+00 +7.000376965910681e+01 2.243774197995663e-01 +1.372073885318493e+02 -2.525194706395268e+00 +2.689264815224247e+02 -3.206720475107431e+00 +5.270959037839524e+02 2.697454707697034e+00 +1.033107971416546e+03 -2.767355907926685e+00 +#BASIS SET: (19s) -> [1s] +In s +5.669391237529597e-03 -9.548113377240952e-02 +1.111200682555800e-02 -5.925206369138323e-01 +2.177953337809369e-02 -3.666132402140647e-01 +4.268788542106363e-02 -8.829530794173479e-02 +8.366825542528468e-02 -6.648030187934637e-01 +1.639897806335580e-01 -1.092889705672860e+00 +3.214199700417737e-01 -1.959587755613029e+00 +6.299831412818762e-01 -4.807864040136337e+00 +1.234766956912478e+00 -5.452144825831056e+00 +2.420143235548455e+00 -1.215511692687869e+01 +4.743480741674971e+00 5.811378326267004e+00 +9.297222253682943e+00 -1.276280545070767e+01 +1.822255561721856e+01 -3.012842167168856e+00 +3.571620900974838e+01 -6.184038840234280e+00 +7.000376965910681e+01 3.405158817768097e-01 +1.372073885318493e+02 -2.326055046170950e+00 +2.689264815224247e+02 -3.694979975000024e+00 +5.270959037839524e+02 3.068823985755444e+00 +1.033107971416546e+03 -2.964680122749996e+00 +#BASIS SET: (18s) -> [1s] +Sn s +1.111200682555800e-02 -5.523742554069031e-01 +2.177953337809369e-02 -4.858781096991152e-01 +4.268788542106363e-02 -5.569872257765383e-01 +8.366825542528468e-02 1.861350773833692e-01 +1.639897806335580e-01 -2.569511769339442e+00 +3.214199700417737e-01 -4.714045561850071e-01 +6.299831412818762e-01 -6.207172090187669e+00 +1.234766956912478e+00 -3.495518343523145e+00 +2.420143235548455e+00 -1.392187851853669e+01 +4.743480741674971e+00 5.260478504002094e+00 +9.297222253682943e+00 -1.087373009696603e+01 +1.822255561721856e+01 -4.784276973456144e+00 +3.571620900974838e+01 -5.199710950255394e+00 +7.000376965910681e+01 -8.950765803456306e-01 +1.372073885318493e+02 -1.121532443910837e+00 +2.689264815224247e+02 -4.796276519075036e+00 +5.270959037839524e+02 3.707914188969880e+00 +1.033107971416546e+03 -3.223199337691767e+00 +#BASIS SET: (18s) -> [1s] +Sb s +1.111200682555800e-02 -2.941219143831404e-01 +2.177953337809369e-02 -7.619069255888462e-01 +4.268788542106363e-02 -6.371651766821742e-01 +8.366825542528468e-02 2.468962944112718e-01 +1.639897806335580e-01 -2.712491008453071e+00 +3.214199700417737e-01 -1.023817998357117e+00 +6.299831412818762e-01 -5.257864207029343e+00 +1.234766956912478e+00 -4.267278319224715e+00 +2.420143235548455e+00 -1.257897890731692e+01 +4.743480741674971e+00 1.854967083781958e+00 +9.297222253682943e+00 -6.822834886610508e+00 +1.822255561721856e+01 -8.165081627666950e+00 +3.571620900974838e+01 -2.872732490301132e+00 +7.000376965910681e+01 -3.245116498321295e+00 +1.372073885318493e+02 8.941699471324682e-01 +2.689264815224247e+02 -6.384324319660664e+00 +5.270959037839524e+02 4.557726070284843e+00 +1.033107971416546e+03 -3.530045116014662e+00 +#BASIS SET: (18s) -> [1s] +Te s +1.111200682555800e-02 -1.515881952800555e-01 +2.177953337809369e-02 -7.620816244743764e-01 +4.268788542106363e-02 -8.303980983328074e-01 +8.366825542528468e-02 1.516969674266875e-01 +1.639897806335580e-01 -2.255662363953888e+00 +3.214199700417737e-01 -2.541620022617280e+00 +6.299831412818762e-01 -3.510122867301106e+00 +1.234766956912478e+00 -5.776388367637992e+00 +2.420143235548455e+00 -1.050889377668500e+01 +4.743480741674971e+00 -1.869570244103670e+00 +9.297222253682943e+00 -2.992027793079615e+00 +1.822255561721856e+01 -1.109395226091146e+01 +3.571620900974838e+01 -9.128968939185143e-01 +7.000376965910681e+01 -5.355050440877676e+00 +1.372073885318493e+02 2.744492169469595e+00 +2.689264815224247e+02 -7.870337091386318e+00 +5.270959037839524e+02 5.363178996369243e+00 +1.033107971416546e+03 -3.828778092705761e+00 +#BASIS SET: (18s) -> [1s] +I s +2.177953337809369e-02 -9.840515522373607e-01 +4.268788542106363e-02 -2.890834953868762e-01 +8.366825542528468e-02 -1.086663707625121e+00 +1.639897806335580e-01 -3.864822261966765e-01 +3.214199700417737e-01 -5.269409620203078e+00 +6.299831412818762e-01 -1.305285302922130e+00 +1.234766956912478e+00 -7.231280120089650e+00 +2.420143235548455e+00 -8.943402560427785e+00 +4.743480741674971e+00 -4.260962042957544e+00 +9.297222253682943e+00 -1.506044600158930e+00 +1.822255561721856e+01 -1.070384539291263e+01 +3.571620900974838e+01 -3.393055640161037e+00 +7.000376965910681e+01 -1.440181914716959e+00 +1.372073885318493e+02 -3.335660003125668e+00 +2.689264815224247e+02 -3.418978303670883e-02 +5.270959037839524e+02 -2.604792689904571e+00 +1.033107971416546e+03 1.399635433219373e+00 +2.024891623976431e+03 -1.625244781156653e+00 +#BASIS SET: (17s) -> [1s] +Xe s +2.177953337809369e-02 -6.822437190421624e-01 +4.268788542106363e-02 -7.033424922265112e-01 +8.366825542528468e-02 -9.430189540144056e-01 +1.639897806335580e-01 -1.480337670072913e-01 +3.214199700417737e-01 -5.981530423276126e+00 +6.299831412818762e-01 -1.502819871529937e+00 +1.234766956912478e+00 -6.597793625667691e+00 +2.420143235548455e+00 -8.801174348220229e+00 +4.743480741674971e+00 -5.949500836431980e+00 +9.297222253682943e+00 4.623289853334427e-01 +1.822255561721856e+01 -1.288945977017283e+01 +3.571620900974838e+01 -1.815875470638275e-01 +7.000376965910681e+01 -7.227592278271914e+00 +1.372073885318493e+02 4.769511995837092e+00 +2.689264815224247e+02 -9.820920294150710e+00 +5.270959037839524e+02 6.530453148763627e+00 +1.033107971416546e+03 -4.333276202858542e+00 +#BASIS SET: (20s) -> [1s] +Cs s +5.669391237529597e-03 -1.013546748174122e+00 +1.111200682555800e-02 -6.919079675571993e-02 +2.177953337809369e-02 -1.319806941319257e-01 +4.268788542106363e-02 6.782393511384726e-01 +8.366825542528468e-02 -6.991409612819552e-01 +1.639897806335580e-01 -5.877931749448180e+00 +3.214199700417737e-01 2.836546598002315e+00 +6.299831412818762e-01 -9.442948339506984e+00 +1.234766956912478e+00 -4.082577712833881e-01 +2.420143235548455e+00 -1.349584588408470e+01 +4.743480741674971e+00 -2.537434946745634e+00 +9.297222253682943e+00 -3.519467875361443e+00 +1.822255561721856e+01 -7.704350162297487e+00 +3.571620900974838e+01 -6.636542730033398e+00 +7.000376965910681e+01 7.832119613885880e-02 +1.372073885318493e+02 -4.296675182878971e+00 +2.689264815224247e+02 5.265671238303185e-01 +5.270959037839524e+02 -3.261400735005736e+00 +1.033107971416546e+03 1.853115796111524e+00 +2.024891623976431e+03 -1.878075488231843e+00 +#BASIS SET: (20s) -> [1s] +Ba s +5.669391237529597e-03 -4.063155853364151e-01 +1.111200682555800e-02 -1.217668961617164e+00 +2.177953337809369e-02 4.988225796259940e-01 +4.268788542106363e-02 -9.096897258423269e-01 +8.366825542528468e-02 8.674963274970651e-01 +1.639897806335580e-01 -4.377395831048489e+00 +3.214199700417737e-01 -3.173475507646799e+00 +6.299831412818762e-01 -7.971368990838528e-01 +1.234766956912478e+00 -8.832613822072744e+00 +2.420143235548455e+00 -5.958854325115681e+00 +4.743480741674971e+00 -9.587416566908360e+00 +9.297222253682943e+00 1.955630037933588e+00 +1.822255561721856e+01 -1.174690493941307e+01 +3.571620900974838e+01 -3.449250537902117e+00 +7.000376965910681e+01 -3.129300795495510e+00 +1.372073885318493e+02 -1.750883195549250e+00 +2.689264815224247e+02 -1.285170007497072e+00 +5.270959037839524e+02 -2.371172994375229e+00 +1.033107971416546e+03 1.566005487926304e+00 +2.024891623976431e+03 -1.894704738078872e+00 +#BASIS SET: (20s) -> [1s] +La s +5.669391237529597e-03 -2.511005461128661e-01 +1.111200682555800e-02 -1.112185273552313e+00 +2.177953337809369e-02 -8.669006847776473e-02 +4.268788542106363e-02 -8.854062855243683e-02 +8.366825542528468e-02 -8.566819690167904e-01 +1.639897806335580e-01 -1.795870307832956e+00 +3.214199700417737e-01 -5.882138235494494e+00 +6.299831412818762e-01 -6.745569221675396e-02 +1.234766956912478e+00 -7.806064601987600e+00 +2.420143235548455e+00 -7.045033216476440e+00 +4.743480741674971e+00 -9.108233984559774e+00 +9.297222253682943e+00 8.355165682733059e-01 +1.822255561721856e+01 -1.015815590694547e+01 +3.571620900974838e+01 -4.934721589088440e+00 +7.000376965910681e+01 -2.502861443907022e+00 +1.372073885318493e+02 -2.244097020477057e+00 +2.689264815224247e+02 -9.071006551384926e-01 +5.270959037839524e+02 -2.801814276725054e+00 +1.033107971416546e+03 1.853325728327036e+00 +2.024891623976431e+03 -2.040096880038618e+00 +#BASIS SET: (20s) -> [1s] +Ce s +5.669391237529597e-03 -2.296091864845948e-01 +1.111200682555800e-02 -1.083247406873852e+00 +2.177953337809369e-02 -1.664297867100686e-01 +4.268788542106363e-02 1.687844982370734e-02 +8.366825542528468e-02 -9.756938954815269e-01 +1.639897806335580e-01 -1.432350169867277e+00 +3.214199700417737e-01 -6.083601478487253e+00 +6.299831412818762e-01 -2.082126531749964e-01 +1.234766956912478e+00 -7.947183392941952e+00 +2.420143235548455e+00 -6.570380043238401e+00 +4.743480741674971e+00 -1.083542391657829e+01 +9.297222253682943e+00 1.930034521967173e+00 +1.822255561721856e+01 -1.044091614708304e+01 +3.571620900974838e+01 -4.932230431586504e+00 +7.000376965910681e+01 -2.928247269243002e+00 +1.372073885318493e+02 -2.016018658876419e+00 +2.689264815224247e+02 -9.969292916357517e-01 +5.270959037839524e+02 -2.970664603635669e+00 +1.033107971416546e+03 2.034230723977089e+00 +2.024891623976431e+03 -2.164005363869364e+00 +#BASIS SET: (20s) -> [1s] +Pr s +5.669391237529597e-03 -3.098003160557710e-01 +1.111200682555800e-02 -1.165813633357175e+00 +2.177953337809369e-02 2.164178346283734e-01 +4.268788542106363e-02 -4.341009906493127e-01 +8.366825542528468e-02 6.318267341703176e-02 +1.639897806335580e-01 -2.365784891881049e+00 +3.214199700417737e-01 -5.298650493845344e+00 +6.299831412818762e-01 4.043613858520985e-01 +1.234766956912478e+00 -1.044594267196953e+01 +2.420143235548455e+00 -3.732327502220869e+00 +4.743480741674971e+00 -1.512516731768847e+01 +9.297222253682943e+00 5.231410965323448e+00 +1.822255561721856e+01 -1.242861394956708e+01 +3.571620900974838e+01 -3.636477753520012e+00 +7.000376965910681e+01 -4.259034540504217e+00 +1.372073885318493e+02 -1.156356964260340e+00 +2.689264815224247e+02 -1.504377897828817e+00 +5.270959037839524e+02 -2.902740234509110e+00 +1.033107971416546e+03 2.118165939114988e+00 +2.024891623976431e+03 -2.268349640478846e+00 +#BASIS SET: (20s) -> [1s] +Nd s +5.669391237529597e-03 -2.881404571235180e-01 +1.111200682555800e-02 -1.140921480138786e+00 +2.177953337809369e-02 1.257819358725101e-01 +4.268788542106363e-02 -2.832352928817272e-01 +8.366825542528468e-02 -1.824585925787687e-01 +1.639897806335580e-01 -1.783944890834391e+00 +3.214199700417737e-01 -5.858008552342653e+00 +6.299831412818762e-01 8.761204592883587e-01 +1.234766956912478e+00 -1.114028467237949e+01 +2.420143235548455e+00 -2.907712724059820e+00 +4.743480741674971e+00 -1.675119676813483e+01 +9.297222253682943e+00 5.563239049166441e+00 +1.822255561721856e+01 -1.181283649802208e+01 +3.571620900974838e+01 -4.405833616852760e+00 +7.000376965910681e+01 -3.978558760136366e+00 +1.372073885318493e+02 -1.559448700398207e+00 +2.689264815224247e+02 -1.101244729012251e+00 +5.270959037839524e+02 -3.387011632323265e+00 +1.033107971416546e+03 2.443675135262311e+00 +2.024891623976431e+03 -2.427979212370701e+00 +#BASIS SET: (20s) -> [1s] +Pm s +5.669391237529597e-03 -2.690226847917074e-01 +1.111200682555800e-02 -1.113718289067037e+00 +2.177953337809369e-02 3.527486789971590e-02 +4.268788542106363e-02 -1.342860287986696e-01 +8.366825542528468e-02 -4.244938679039478e-01 +1.639897806335580e-01 -1.234295642003417e+00 +3.214199700417737e-01 -6.359931768849492e+00 +6.299831412818762e-01 1.326368268579245e+00 +1.234766956912478e+00 -1.177031297236681e+01 +2.420143235548455e+00 -2.226142812520266e+00 +4.743480741674971e+00 -1.804234669357538e+01 +9.297222253682943e+00 5.339619930833578e+00 +1.822255561721856e+01 -1.069101327285171e+01 +3.571620900974838e+01 -5.558206710964441e+00 +7.000376965910681e+01 -3.371179200708866e+00 +1.372073885318493e+02 -2.243936207145452e+00 +2.689264815224247e+02 -4.837650097906590e-01 +5.270959037839524e+02 -4.006424769759178e+00 +1.033107971416546e+03 2.830830792896450e+00 +2.024891623976431e+03 -2.603017929111957e+00 +#BASIS SET: (20s) -> [1s] +Sm s +5.669391237529597e-03 -2.518799312238116e-01 +1.111200682555800e-02 -1.085127644822933e+00 +2.177953337809369e-02 -5.339503963477910e-02 +4.268788542106363e-02 9.044568985700607e-03 +8.366825542528468e-02 -6.555727208033204e-01 +1.639897806335580e-01 -7.272055270150304e-01 +3.214199700417737e-01 -6.791484255343676e+00 +6.299831412818762e-01 1.719422124326229e+00 +1.234766956912478e+00 -1.228284047171474e+01 +2.420143235548455e+00 -1.745372988283634e+00 +4.743480741674971e+00 -1.894607838243246e+01 +9.297222253682943e+00 4.555438861250877e+00 +1.822255561721856e+01 -9.108730237931013e+00 +3.571620900974838e+01 -7.028530526906252e+00 +7.000376965910681e+01 -2.504628803580999e+00 +1.372073885318493e+02 -3.147575061768293e+00 +2.689264815224247e+02 2.987634092569351e-01 +5.270959037839524e+02 -4.729445269331336e+00 +1.033107971416546e+03 3.265457470901310e+00 +2.024891623976431e+03 -2.790259573928779e+00 +#BASIS SET: (20s) -> [1s] +Eu s +5.669391237529597e-03 -2.363048007537145e-01 +1.111200682555800e-02 -1.055902808322571e+00 +2.177953337809369e-02 -1.387205617502332e-01 +4.268788542106363e-02 1.435167645104229e-01 +8.366825542528468e-02 -8.693158226087689e-01 +1.639897806335580e-01 -2.709744386374950e-01 +3.214199700417737e-01 -7.142853457480669e+00 +6.299831412818762e-01 2.030570387840271e+00 +1.234766956912478e+00 -1.264544731006026e+01 +2.420143235548455e+00 -1.495237454771996e+00 +4.743480741674971e+00 -1.944731676578522e+01 +9.297222253682943e+00 3.246083546429873e+00 +1.822255561721856e+01 -7.145998846739531e+00 +3.571620900974838e+01 -8.725772500038147e+00 +7.000376965910681e+01 -1.465202741324902e+00 +1.372073885318493e+02 -4.195540569722652e+00 +2.689264815224247e+02 1.189222872257233e+00 +5.270959037839524e+02 -5.520414913073182e+00 +1.033107971416546e+03 3.731838273815811e+00 +2.024891623976431e+03 -2.986228853784269e+00 +#BASIS SET: (20s) -> [1s] +Gd s +5.669391237529597e-03 -2.220035289938096e-01 +1.111200682555800e-02 -1.026636386988685e+00 +2.177953337809369e-02 -2.195024162065238e-01 +4.268788542106363e-02 2.666305918246508e-01 +8.366825542528468e-02 -1.060936856083572e+00 +1.639897806335580e-01 1.289421310648322e-01 +3.214199700417737e-01 -7.408480752259493e+00 +6.299831412818762e-01 2.245256131514907e+00 +1.234766956912478e+00 -1.284255643188953e+01 +2.420143235548455e+00 -1.483709752559662e+00 +4.743480741674971e+00 -1.955896130576730e+01 +9.297222253682943e+00 1.474745411425829e+00 +1.822255561721856e+01 -4.903320152312517e+00 +3.571620900974838e+01 -1.054632148891687e+01 +7.000376965910681e+01 -3.460758663713932e-01 +1.372073885318493e+02 -5.309763193130493e+00 +2.689264815224247e+02 2.129243064671755e+00 +5.270959037839524e+02 -6.343261806294322e+00 +1.033107971416546e+03 4.214084448292851e+00 +2.024891623976431e+03 -3.187371841020649e+00 +#BASIS SET: (20s) -> [1s] +Tb s +5.669391237529597e-03 -2.087484216754092e-01 +1.111200682555800e-02 -9.977601581485942e-01 +2.177953337809369e-02 -2.949147250037640e-01 +4.268788542106363e-02 3.767076157964766e-01 +8.366825542528468e-02 -1.227318305522203e+00 +1.639897806335580e-01 4.698203066363931e-01 +3.214199700417737e-01 -7.586723612621427e+00 +6.299831412818762e-01 2.357080873101950e+00 +1.234766956912478e+00 -1.287125361710787e+01 +2.420143235548455e+00 -1.702762108296156e+00 +4.743480741674971e+00 -1.931343739479780e+01 +9.297222253682943e+00 -6.782803460955620e-01 +1.822255561721856e+01 -2.490281533449888e+00 +3.571620900974838e+01 -1.238474536687136e+01 +7.000376965910681e+01 7.620247825980186e-01 +1.372073885318493e+02 -6.416422154754400e+00 +2.689264815224247e+02 3.064697332680225e+00 +5.270959037839524e+02 -7.165006449446082e+00 +1.033107971416546e+03 4.697873751632869e+00 +2.024891623976431e+03 -3.390550468655420e+00 +#BASIS SET: (20s) -> [1s] +Dy s +5.669391237529597e-03 -1.963704581576167e-01 +1.111200682555800e-02 -9.695809399709105e-01 +2.177953337809369e-02 -3.644355472642928e-01 +4.268788542106363e-02 4.727789480239153e-01 +8.366825542528468e-02 -1.366803475655615e+00 +1.639897806335580e-01 7.512916717678308e-01 +3.214199700417737e-01 -7.679354812949896e+00 +6.299831412818762e-01 2.366256196051836e+00 +1.234766956912478e+00 -1.273823403194547e+01 +2.420143235548455e+00 -2.132751945406199e+00 +4.743480741674971e+00 -1.875630769506097e+01 +9.297222253682943e+00 -3.123639348894358e+00 +1.822255561721856e+01 -1.727881282567978e-02 +3.571620900974838e+01 -1.414120380580425e+01 +7.000376965910681e+01 1.776873603463173e+00 +1.372073885318493e+02 -7.450494699180126e+00 +2.689264815224247e+02 3.948701608926058e+00 +5.270959037839524e+02 -7.957301214337349e+00 +1.033107971416546e+03 5.170898678712547e+00 +2.024891623976431e+03 -3.593043919492629e+00 +#BASIS SET: (20s) -> [1s] +Ho s +5.669391237529597e-03 -1.847362555126892e-01 +1.111200682555800e-02 -9.422923936508596e-01 +2.177953337809369e-02 -4.278248741757125e-01 +4.268788542106363e-02 5.544880512170494e-01 +8.366825542528468e-02 -1.478941877372563e+00 +1.639897806335580e-01 9.748272858560085e-01 +3.214199700417737e-01 -7.690699294209480e+00 +6.299831412818762e-01 2.277739217504859e+00 +1.234766956912478e+00 -1.245675811171532e+01 +2.420143235548455e+00 -2.746537607163191e+00 +4.743480741674971e+00 -1.794062499329448e+01 +9.297222253682943e+00 -5.769616644829512e+00 +1.822255561721856e+01 2.411056526005268e+00 +3.571620900974838e+01 -1.572709534689784e+01 +7.000376965910681e+01 2.629233103245497e+00 +1.372073885318493e+02 -8.359120078384876e+00 +2.689264815224247e+02 4.743998698890209e+00 +5.270959037839524e+02 -8.697975300252438e+00 +1.033107971416546e+03 5.623688185587525e+00 +2.024891623976431e+03 -3.792808290847461e+00 +#BASIS SET: (20s) -> [1s] +Er s +5.669391237529597e-03 -1.737486286874628e-01 +1.111200682555800e-02 -9.160102142486721e-01 +2.177953337809369e-02 -4.850425336044282e-01 +4.268788542106363e-02 6.219518887810409e-01 +8.366825542528468e-02 -1.564239378087223e+00 +1.639897806335580e-01 1.143347064964473e+00 +3.214199700417737e-01 -7.627096930518746e+00 +6.299831412818762e-01 2.100075975060463e+00 +1.234766956912478e+00 -1.204464383795857e+01 +2.420143235548455e+00 -3.512328311800957e+00 +4.743480741674971e+00 -1.692291816323996e+01 +9.297222253682943e+00 -8.526840213686228e+00 +1.822255561721856e+01 4.700141232460737e+00 +3.571620900974838e+01 -1.706830953806639e+01 +7.000376965910681e+01 3.265032067894936e+00 +1.372073885318493e+02 -9.102887075394392e+00 +2.689264815224247e+02 5.423534993082285e+00 +5.270959037839524e+02 -9.371092313900590e+00 +1.033107971416546e+03 6.049414413049817e+00 +2.024891623976431e+03 -3.988340496100136e+00 +#BASIS SET: (20s) -> [1s] +Tm s +5.669391237529597e-03 -1.633254081971245e-01 +1.111200682555800e-02 -8.907719636335969e-01 +2.177953337809369e-02 -5.362350381910801e-01 +4.268788542106363e-02 6.756549053825438e-01 +8.366825542528468e-02 -1.623880694620311e+00 +1.639897806335580e-01 1.260682846419513e+00 +3.214199700417737e-01 -7.496000880375504e+00 +6.299831412818762e-01 1.843810768797994e+00 +1.234766956912478e+00 -1.152200179919600e+01 +2.420143235548455e+00 -4.396580401808023e+00 +4.743480741674971e+00 -1.575949836522341e+01 +9.297222253682943e+00 -1.131218852847815e+01 +1.822255561721856e+01 6.768711242824793e+00 +3.571620900974838e+01 -1.810749458894134e+01 +7.000376965910681e+01 3.646775875240564e+00 +1.372073885318493e+02 -9.656703781336546e+00 +2.689264815224247e+02 5.971126724034548e+00 +5.270959037839524e+02 -9.967595649883151e+00 +1.033107971416546e+03 6.444446695037186e+00 +2.024891623976431e+03 -4.178931957852910e+00 +#BASIS SET: (20s) -> [1s] +Yb s +5.669391237529597e-03 -1.534107047918951e-01 +1.111200682555800e-02 -8.665776760317385e-01 +2.177953337809369e-02 -5.816473481245339e-01 +4.268788542106363e-02 7.163389786146581e-01 +8.366825542528468e-02 -1.659575713798404e+00 +1.639897806335580e-01 1.331398182548583e+00 +3.214199700417737e-01 -7.305793508887291e+00 +6.299831412818762e-01 1.521023485809565e+00 +1.234766956912478e+00 -1.091030701249838e+01 +2.420143235548455e+00 -5.365407641977072e+00 +4.743480741674971e+00 -1.450445781275630e+01 +9.297222253682943e+00 -1.405088720098138e+01 +1.822255561721856e+01 8.550135470926762e+00 +3.571620900974838e+01 -1.880432519689202e+01 +7.000376965910681e+01 3.753002341836691e+00 +1.372073885318493e+02 -1.000878858566284e+01 +2.689264815224247e+02 6.380233205854893e+00 +5.270959037839524e+02 -1.048409661836922e+01 +1.033107971416546e+03 6.807445341721177e+00 +2.024891623976431e+03 -4.364301986541250e+00 +#BASIS SET: (20s) -> [1s] +Lu s +5.669391237529597e-03 -8.773285552160814e-02 +1.111200682555800e-02 -6.896046763285995e-01 +2.177953337809369e-02 -9.049188969656825e-01 +4.268788542106363e-02 6.818425739184022e-01 +8.366825542528468e-02 -1.578487758524716e+00 +1.639897806335580e-01 4.094375306740403e-01 +3.214199700417737e-01 -4.984980827197433e+00 +6.299831412818762e-01 -2.355891307815909e+00 +1.234766956912478e+00 -6.157225083559752e+00 +2.420143235548455e+00 -9.548238743096590e+00 +4.743480741674971e+00 -1.045569621771574e+01 +9.297222253682943e+00 -1.874794186651707e+01 +1.822255561721856e+01 1.140073370561004e+01 +3.571620900974838e+01 -2.016499786078930e+01 +7.000376965910681e+01 4.385497566312551e+00 +1.372073885318493e+02 -1.080633199214935e+01 +2.689264815224247e+02 7.117152918130159e+00 +5.270959037839524e+02 -1.120011978037655e+01 +1.033107971416546e+03 7.258800651878119e+00 +2.024891623976431e+03 -4.571297079965007e+00 +#BASIS SET: (19s) -> [1s] +Hf s +1.111200682555800e-02 -7.666499668994220e-01 +2.177953337809369e-02 -5.615308070555329e-01 +4.268788542106363e-02 -2.062780549749732e-01 +8.366825542528468e-02 -3.164823479019105e-01 +1.639897806335580e-01 -1.568166245706379e+00 +3.214199700417737e-01 -2.507512934505939e+00 +6.299831412818762e-01 -5.314868822693825e+00 +1.234766956912478e+00 -3.567377772182226e+00 +2.420143235548455e+00 -1.115991050377488e+01 +4.743480741674971e+00 -8.643028575927019e+00 +9.297222253682943e+00 -2.128696517646313e+01 +1.822255561721856e+01 1.212777653709054e+01 +3.571620900974838e+01 -1.969077476859093e+01 +7.000376965910681e+01 3.571078125387430e+00 +1.372073885318493e+02 -1.052016831934452e+01 +2.689264815224247e+02 7.098602909594774e+00 +5.270959037839524e+02 -1.147056086920202e+01 +1.033107971416546e+03 7.521542515605688e+00 +2.024891623976431e+03 -4.738724922455731e+00 +#BASIS SET: (19s) -> [1s] +Ta s +1.111200682555800e-02 -5.943146852805512e-01 +2.177953337809369e-02 -7.091815046733245e-01 +4.268788542106363e-02 -2.471673081163317e-01 +8.366825542528468e-02 -1.313131204806268e-01 +1.639897806335580e-01 -2.055732474662364e+00 +3.214199700417737e-01 -1.995476851239800e+00 +6.299831412818762e-01 -6.032913817092776e+00 +1.234766956912478e+00 -3.449111782014370e+00 +2.420143235548455e+00 -1.062702710554004e+01 +4.743480741674971e+00 -8.468914255499840e+00 +9.297222253682943e+00 -2.222849751636386e+01 +1.822255561721856e+01 1.127001905068755e+01 +3.571620900974838e+01 -1.789208326116204e+01 +7.000376965910681e+01 1.756530206650496e+00 +1.372073885318493e+02 -9.506463665515184e+00 +2.689264815224247e+02 6.579112879931927e+00 +5.270959037839524e+02 -1.144779540039599e+01 +1.033107971416546e+03 7.661541611887515e+00 +2.024891623976431e+03 -4.881211001120391e+00 +#BASIS SET: (20s) -> [1s] +W s +1.111200682555800e-02 -4.787098271481227e-01 +2.177953337809369e-02 -7.694692814256996e-01 +4.268788542106363e-02 -2.909631058573723e-01 +8.366825542528468e-02 -4.739025048911572e-02 +1.639897806335580e-01 -2.157657265663147e+00 +3.214199700417737e-01 -2.101691117510200e+00 +6.299831412818762e-01 -5.988219060003757e+00 +1.234766956912478e+00 -4.314093716442585e+00 +2.420143235548455e+00 -9.198934044688940e+00 +4.743480741674971e+00 -9.268799427896738e+00 +9.297222253682943e+00 -2.147396853566170e+01 +1.822255561721856e+01 7.772589944303036e+00 +3.571620900974838e+01 -1.235304729640484e+01 +7.000376965910681e+01 -5.433644518256187e+00 +1.372073885318493e+02 -7.650875747203827e-01 +2.689264815224247e+02 -4.440735254436731e+00 +5.270959037839524e+02 1.148319657891989e+00 +1.033107971416546e+03 -4.162876537069678e+00 +2.024891623976431e+03 2.562960052862763e+00 +3.968787582993804e+03 -2.238582841382595e+00 +#BASIS SET: (20s) -> [1s] +Re s +1.111200682555800e-02 -3.945601021405309e-01 +2.177953337809369e-02 -7.922906965250149e-01 +4.268788542106363e-02 -3.270104443654418e-01 +8.366825542528468e-02 -2.701008692383766e-03 +1.639897806335580e-01 -2.120346765033901e+00 +3.214199700417737e-01 -2.308033986017108e+00 +6.299831412818762e-01 -5.928296942263842e+00 +1.234766956912478e+00 -5.121315035969019e+00 +2.420143235548455e+00 -8.278996285051107e+00 +4.743480741674971e+00 -9.152380514889956e+00 +9.297222253682943e+00 -2.182187312841415e+01 +1.822255561721856e+01 5.982780970633030e+00 +3.571620900974838e+01 -9.790794603526592e+00 +7.000376965910681e+01 -7.830081701278687e+00 +1.372073885318493e+02 8.565123826265335e-01 +2.689264815224247e+02 -5.736233733594418e+00 +5.270959037839524e+02 2.093163531273603e+00 +1.033107971416546e+03 -4.900194952264428e+00 +2.024891623976431e+03 2.977666327729821e+00 +3.968787582993804e+03 -2.405013312236406e+00 +#BASIS SET: (20s) -> [1s] +Os s +1.111200682555800e-02 -3.295042614627164e-01 +2.177953337809369e-02 -7.993778605014086e-01 +4.268788542106363e-02 -3.478891416452825e-01 +8.366825542528468e-02 5.534670315682888e-03 +1.639897806335580e-01 -1.988023819401860e+00 +3.214199700417737e-01 -2.557173265144229e+00 +6.299831412818762e-01 -5.819467309862375e+00 +1.234766956912478e+00 -6.019819829612970e+00 +2.420143235548455e+00 -7.499867700040340e+00 +4.743480741674971e+00 -8.873753603547812e+00 +9.297222253682943e+00 -2.202663534134626e+01 +1.822255561721856e+01 3.960687123239040e+00 +3.571620900974838e+01 -7.161899536848068e+00 +7.000376965910681e+01 -1.014749526232481e+01 +1.372073885318493e+02 2.357599757611752e+00 +2.689264815224247e+02 -6.931696612387896e+00 +5.270959037839524e+02 2.972207535058260e+00 +1.033107971416546e+03 -5.604207221418619e+00 +2.024891623976431e+03 3.381741981953382e+00 +3.968787582993804e+03 -2.570960302633466e+00 +#BASIS SET: (20s) -> [1s] +Ir s +1.111200682555800e-02 -2.775318270723801e-01 +2.177953337809369e-02 -7.968313284218311e-01 +4.268788542106363e-02 -3.622937509790063e-01 +8.366825542528468e-02 -8.798884227871895e-04 +1.639897806335580e-01 -1.816434251144528e+00 +3.214199700417737e-01 -2.785989236086607e+00 +6.299831412818762e-01 -5.691447585821152e+00 +1.234766956912478e+00 -6.968078300356865e+00 +2.420143235548455e+00 -6.891986794769764e+00 +4.743480741674971e+00 -8.454072888940573e+00 +9.297222253682943e+00 -2.208061892166734e+01 +1.822255561721856e+01 1.756763890385628e+00 +3.571620900974838e+01 -4.547875434160233e+00 +7.000376965910681e+01 -1.230762564390898e+01 +1.372073885318493e+02 3.675869233906269e+00 +2.689264815224247e+02 -7.980780962854624e+00 +5.270959037839524e+02 3.753342151641846e+00 +1.033107971416546e+03 -6.255942624062300e+00 +2.024891623976431e+03 3.767121035605669e+00 +3.968787582993804e+03 -2.734706872870447e+00 +#BASIS SET: (20s) -> [1s] +Pt s +1.111200682555800e-02 -2.351207875472028e-01 +2.177953337809369e-02 -7.874247280415148e-01 +4.268788542106363e-02 -3.752606268972158e-01 +8.366825542528468e-02 -1.235440094023943e-02 +1.639897806335580e-01 -1.630384685471654e+00 +3.214199700417737e-01 -2.980003131553531e+00 +6.299831412818762e-01 -5.536363208666444e+00 +1.234766956912478e+00 -7.944678198546171e+00 +2.420143235548455e+00 -6.477809350937605e+00 +4.743480741674971e+00 -7.904007930308580e+00 +9.297222253682943e+00 -2.199900956079364e+01 +1.822255561721856e+01 -5.586922690272331e-01 +3.571620900974838e+01 -2.040493376553059e+00 +7.000376965910681e+01 -1.422937637567520e+01 +1.372073885318493e+02 4.749631062150002e+00 +2.689264815224247e+02 -8.838732417672873e+00 +5.270959037839524e+02 4.405886344611645e+00 +1.033107971416546e+03 -6.837273964658380e+00 +2.024891623976431e+03 4.126000712625682e+00 +3.968787582993804e+03 -2.894533106096787e+00 +#BASIS SET: (20s) -> [1s] +Au s +1.111200682555800e-02 -1.999817476607859e-01 +2.177953337809369e-02 -7.728282314492390e-01 +4.268788542106363e-02 -3.889234908856452e-01 +8.366825542528468e-02 -2.577589731663465e-02 +1.639897806335580e-01 -1.440341187641025e+00 +3.214199700417737e-01 -3.140839437022805e+00 +6.299831412818762e-01 -5.347106536850333e+00 +1.234766956912478e+00 -8.916165806353092e+00 +2.420143235548455e+00 -6.293124202638865e+00 +4.743480741674971e+00 -7.214953068643808e+00 +9.297222253682943e+00 -2.181816465780139e+01 +1.822255561721856e+01 -2.902750194072723e+00 +3.571620900974838e+01 2.668578326702118e-01 +7.000376965910681e+01 -1.583681617677212e+01 +1.372073885318493e+02 5.524535693228245e+00 +2.689264815224247e+02 -9.467690389603376e+00 +5.270959037839524e+02 4.904471095651388e+00 +1.033107971416546e+03 -7.333426043391228e+00 +2.024891623976431e+03 4.452124334871769e+00 +3.968787582993804e+03 -3.049101888318546e+00 +#BASIS SET: (20s) -> [1s] +Hg s +1.111200682555800e-02 -1.705473759793676e-01 +2.177953337809369e-02 -7.541891825385392e-01 +4.268788542106363e-02 -4.039876582100987e-01 +8.366825542528468e-02 -4.022490791976452e-02 +1.639897806335580e-01 -1.252091656439006e+00 +3.214199700417737e-01 -3.271018153056502e+00 +6.299831412818762e-01 -5.129305334761739e+00 +1.234766956912478e+00 -9.834219966083765e+00 +2.420143235548455e+00 -6.381688904017210e+00 +4.743480741674971e+00 -6.371068056672812e+00 +9.297222253682943e+00 -2.157927650213242e+01 +1.822255561721856e+01 -5.197005644440651e+00 +3.571620900974838e+01 2.294559918344021e+00 +7.000376965910681e+01 -1.707185718417168e+01 +1.372073885318493e+02 5.963555596768856e+00 +2.689264815224247e+02 -9.844180099666119e+00 +5.270959037839524e+02 5.234154913574457e+00 +1.033107971416546e+03 -7.735853146761656e+00 +2.024891623976431e+03 4.741874764673412e+00 +3.968787582993804e+03 -3.197631420509424e+00 +#BASIS SET: (21s) -> [1s] +Tl s +5.669391237529597e-03 -1.429172705538804e-01 +1.111200682555800e-02 -5.945054256590083e-01 +2.177953337809369e-02 -2.846123566851020e-01 +4.268788542106363e-02 1.122978087514639e-01 +8.366825542528468e-02 -9.856930105015635e-01 +1.639897806335580e-01 -1.183369856327772e+00 +3.214199700417737e-01 -3.100474497303367e+00 +6.299831412818762e-01 -4.822526793926954e+00 +1.234766956912478e+00 -9.758671142160892e+00 +2.420143235548455e+00 -7.537440981715918e+00 +4.743480741674971e+00 -5.162715163081884e+00 +9.297222253682943e+00 -2.138140840828419e+01 +1.822255561721856e+01 -7.277594439685345e+00 +3.571620900974838e+01 3.876848757266998e+00 +7.000376965910681e+01 -1.781498592346907e+01 +1.372073885318493e+02 5.989078432321548e+00 +2.689264815224247e+02 -9.915018267929554e+00 +5.270959037839524e+02 5.360763993114233e+00 +1.033107971416546e+03 -8.025957390666008e+00 +2.024891623976431e+03 4.987474545836449e+00 +3.968787582993804e+03 -3.338572609340190e+00 +#BASIS SET: (20s) -> [1s] +Pb s +1.111200682555800e-02 -7.252591520373244e-01 +2.177953337809369e-02 -2.196438147220761e-01 +4.268788542106363e-02 -6.039279610849917e-01 +8.366825542528468e-02 7.768185157328844e-02 +1.639897806335580e-01 -2.389817968942225e+00 +3.214199700417737e-01 -2.272017700597644e+00 +6.299831412818762e-01 -5.566813655197620e+00 +1.234766956912478e+00 -8.387106373906136e+00 +2.420143235548455e+00 -9.529743369668722e+00 +4.743480741674971e+00 -3.669670004397631e+00 +9.297222253682943e+00 -2.125796675682068e+01 +1.822255561721856e+01 -9.116803802549839e+00 +3.571620900974838e+01 5.019425556063652e+00 +7.000376965910681e+01 -1.809249509125948e+01 +1.372073885318493e+02 5.633520826697350e+00 +2.689264815224247e+02 -9.711072720587254e+00 +5.270959037839524e+02 5.307122368365526e+00 +1.033107971416546e+03 -8.216845195740461e+00 +2.024891623976431e+03 5.194566901773214e+00 +3.968787582993804e+03 -3.473133936960949e+00 +#BASIS SET: (20s) -> [1s] +Bi s +1.111200682555800e-02 -4.264150697272271e-01 +2.177953337809369e-02 -6.931806750362739e-01 +4.268788542106363e-02 -4.407158824615180e-01 +8.366825542528468e-02 -1.126675019040704e-01 +1.639897806335580e-01 -2.296625071205199e+00 +3.214199700417737e-01 -2.680200729519129e+00 +6.299831412818762e-01 -5.291879761964083e+00 +1.234766956912478e+00 -8.150109834969044e+00 +2.420143235548455e+00 -1.000444703549147e+01 +4.743480741674971e+00 -3.874088272452354e+00 +9.297222253682943e+00 -1.960790494829416e+01 +1.822255561721856e+01 -1.203567077964544e+01 +3.571620900974838e+01 6.849190957844257e+00 +7.000376965910681e+01 -1.886913185566664e+01 +1.372073885318493e+02 5.698726981878281e+00 +2.689264815224247e+02 -9.861296907067299e+00 +5.270959037839524e+02 5.520122822374105e+00 +1.033107971416546e+03 -8.574890803545713e+00 +2.024891623976431e+03 5.477851452305913e+00 +3.968787582993804e+03 -3.626667085452937e+00 +#BASIS SET: (20s) -> [1s] +Po s +1.111200682555800e-02 -2.499840547097847e-01 +2.177953337809369e-02 -8.124417301733047e-01 +4.268788542106363e-02 -5.911475233733654e-01 +8.366825542528468e-02 -8.840155787765980e-02 +1.639897806335580e-01 -2.256945866160095e+00 +3.214199700417737e-01 -3.286057604476810e+00 +6.299831412818762e-01 -4.771736809983850e+00 +1.234766956912478e+00 -8.362366996705532e+00 +2.420143235548455e+00 -9.764704920351505e+00 +4.743480741674971e+00 -4.830763109028339e+00 +9.297222253682943e+00 -1.741655147075653e+01 +1.822255561721856e+01 -1.511773034185171e+01 +3.571620900974838e+01 8.579439215362072e+00 +7.000376965910681e+01 -1.949653046578169e+01 +1.372073885318493e+02 5.663166604936123e+00 +2.689264815224247e+02 -9.963155038654804e+00 +5.270959037839524e+02 5.715218216180801e+00 +1.033107971416546e+03 -8.930617462843657e+00 +2.024891623976431e+03 5.764461411163211e+00 +3.968787582993804e+03 -3.783150494913571e+00 +#BASIS SET: (20s) -> [1s] +At s +1.111200682555800e-02 -1.439927969477139e-01 +2.177953337809369e-02 -7.855897657573223e-01 +4.268788542106363e-02 -7.670656112022698e-01 +8.366825542528468e-02 -1.544577460736036e-01 +1.639897806335580e-01 -1.938169675879180e+00 +3.214199700417737e-01 -4.288482425734401e+00 +6.299831412818762e-01 -4.019268825650215e+00 +1.234766956912478e+00 -8.807501669973135e+00 +2.420143235548455e+00 -9.233841545879841e+00 +4.743480741674971e+00 -5.984046667814255e+00 +9.297222253682943e+00 -1.526352274417877e+01 +1.822255561721856e+01 -1.784303945302963e+01 +3.571620900974838e+01 9.786833569407463e+00 +7.000376965910681e+01 -1.964257214218378e+01 +1.372073885318493e+02 5.268023177981377e+00 +2.689264815224247e+02 -9.819788932800293e+00 +5.270959037839524e+02 5.753942016512156e+00 +1.033107971416546e+03 -9.201642394065857e+00 +2.024891623976431e+03 6.018996868282557e+00 +3.968787582993804e+03 -3.934813235013280e+00 +#BASIS SET: (20s) -> [1s] +Rn s +1.111200682555800e-02 -7.908572352607735e-02 +2.177953337809369e-02 -7.058818549849093e-01 +4.268788542106363e-02 -8.805511426180601e-01 +8.366825542528468e-02 -3.525186600163579e-01 +1.639897806335580e-01 -1.396591220982373e+00 +3.214199700417737e-01 -5.410658827051520e+00 +6.299831412818762e-01 -3.481962254270911e+00 +1.234766956912478e+00 -8.962435092777014e+00 +2.420143235548455e+00 -8.986361019313335e+00 +4.743480741674971e+00 -6.757532536983490e+00 +9.297222253682943e+00 -1.366883046180010e+01 +1.822255561721856e+01 -1.978687026351690e+01 +3.571620900974838e+01 1.014951632916927e+01 +7.000376965910681e+01 -1.906790776550770e+01 +1.372073885318493e+02 4.332546770572662e+00 +2.689264815224247e+02 -9.295504875481129e+00 +5.270959037839524e+02 5.541072480380535e+00 +1.033107971416546e+03 -9.331102848052979e+00 +2.024891623976431e+03 6.216803810559213e+00 +3.968787582993804e+03 -4.076144843798829e+00 +#BASIS SET: (22s) -> [1s] +Fr s +5.669391237529597e-03 -8.873109045816818e-01 +1.111200682555800e-02 -2.351627146126702e-01 +2.177953337809369e-02 -1.627533747814596e-01 +4.268788542106363e-02 9.920158837921917e-01 +8.366825542528468e-02 -2.005962782539427e+00 +1.639897806335580e-01 -4.169469611719251e+00 +3.214199700417737e-01 5.039143040776253e-01 +6.299831412818762e-01 -9.034100983291864e+00 +1.234766956912478e+00 -4.689129795879126e+00 +2.420143235548455e+00 -1.247697659954429e+01 +4.743480741674971e+00 -4.052544198930264e+00 +9.297222253682943e+00 -1.550417700409889e+01 +1.822255561721856e+01 -1.808009719103575e+01 +3.571620900974838e+01 6.480736665427685e+00 +7.000376965910681e+01 -1.384753066301346e+01 +1.372073885318493e+02 -2.326015323400497e+00 +2.689264815224247e+02 -1.400312654674053e+00 +5.270959037839524e+02 -4.023820109665394e+00 +1.033107971416546e+03 1.307773880660534e+00 +2.024891623976431e+03 -3.613285027444363e+00 +3.968787582993804e+03 2.067443463951349e+00 +7.778823662667854e+03 -1.843235258696950e+00 +#BASIS SET: (22s) -> [1s] +Ra s +5.669391237529597e-03 -3.748682037694380e-01 +1.111200682555800e-02 -1.199582973844372e+00 +2.177953337809369e-02 3.568587317131460e-01 +4.268788542106363e-02 -6.653203209862113e-01 +8.366825542528468e-02 4.241312583908439e-01 +1.639897806335580e-01 -5.024755971506238e+00 +3.214199700417737e-01 -2.154845958575606e+00 +6.299831412818762e-01 -3.571518447250128e+00 +1.234766956912478e+00 -1.052281896397471e+01 +2.420143235548455e+00 -7.478845685720444e+00 +4.743480741674971e+00 -8.573140911757946e+00 +9.297222253682943e+00 -1.100531208515167e+01 +1.822255561721856e+01 -2.210310214757919e+01 +3.571620900974838e+01 8.405024021863937e+00 +7.000376965910681e+01 -1.461657166481018e+01 +1.372073885318493e+02 -2.107012353837490e+00 +2.689264815224247e+02 -1.729465350508690e+00 +5.270959037839524e+02 -3.786928251385689e+00 +1.033107971416546e+03 1.136718876659870e+00 +2.024891623976431e+03 -3.640908408910036e+00 +3.968787582993804e+03 2.161855427548289e+00 +7.778823662667854e+03 -1.929590616608039e+00 +#BASIS SET: (21s) -> [1s] +Ac s +5.669391237529597e-03 -1.974486347462516e-01 +1.111200682555800e-02 -1.099034810322337e+00 +2.177953337809369e-02 -2.993965144269168e-01 +4.268788542106363e-02 2.571964636445045e-02 +8.366825542528468e-02 -1.077960675582290e+00 +1.639897806335580e-01 -2.432485058903694e+00 +3.214199700417737e-01 -5.796051641926169e+00 +6.299831412818762e-01 -6.698472686111927e-01 +1.234766956912478e+00 -1.176520938426256e+01 +2.420143235548455e+00 -7.100214473903179e+00 +4.743480741674971e+00 -9.223808411508799e+00 +9.297222253682943e+00 -9.576926186680794e+00 +1.822255561721856e+01 -2.386755701154470e+01 +3.571620900974838e+01 9.218420393764973e+00 +7.000376965910681e+01 -1.591063644737005e+01 +1.372073885318493e+02 7.897364571690559e-01 +2.689264815224247e+02 -7.427376344799995e+00 +5.270959037839524e+02 4.809667095541954e+00 +1.033107971416546e+03 -9.716579396277666e+00 +2.024891623976431e+03 6.838215401396155e+00 +3.968787582993804e+03 -4.521226733369986e+00 +#BASIS SET: (22s) -> [1s] +Th s +5.669391237529597e-03 -1.107552915927954e-01 +1.111200682555800e-02 -9.059325858252123e-01 +2.177953337809369e-02 -7.495494922623038e-01 +4.268788542106363e-02 3.644761331379414e-01 +8.366825542528468e-02 -1.634351854212582e+00 +1.639897806335580e-01 -1.843550011515617e+00 +3.214199700417737e-01 -6.496174553409219e+00 +6.299831412818762e-01 -1.380430735647678e+00 +1.234766956912478e+00 -9.606020014733076e+00 +2.420143235548455e+00 -9.555728711187840e+00 +4.743480741674971e+00 -7.241976648569107e+00 +9.297222253682943e+00 -1.112698455154896e+01 +1.822255561721856e+01 -2.178996683657169e+01 +3.571620900974838e+01 4.876931518316269e+00 +7.000376965910681e+01 -1.003759066760540e+01 +1.372073885318493e+02 -6.588971450924873e+00 +2.689264815224247e+02 1.518757440149784e+00 +5.270959037839524e+02 -6.326762750744820e+00 +1.033107971416546e+03 2.939933769404888e+00 +2.024891623976431e+03 -4.992217428982258e+00 +3.968787582993804e+03 2.921352701261640e+00 +7.778823662667854e+03 -2.234487976937089e+00 +#BASIS SET: (22s) -> [1s] +Pa s +5.669391237529597e-03 -1.500783330120612e-01 +1.111200682555800e-02 -1.004018821869977e+00 +2.177953337809369e-02 -4.653262053616345e-01 +4.268788542106363e-02 1.700106915086508e-01 +8.366825542528468e-02 -1.131273145787418e+00 +1.639897806335580e-01 -2.066348759457469e+00 +3.214199700417737e-01 -5.937582571059465e+00 +6.299831412818762e-01 -2.101900216192007e+00 +1.234766956912478e+00 -1.033952229097486e+01 +2.420143235548455e+00 -9.325376000255346e+00 +4.743480741674971e+00 -7.742281407117844e+00 +9.297222253682943e+00 -9.546567551791668e+00 +1.822255561721856e+01 -2.327982082217932e+01 +3.571620900974838e+01 4.566398784518242e+00 +7.000376965910681e+01 -9.139533400535583e+00 +1.372073885318493e+02 -7.538327813148499e+00 +2.689264815224247e+02 2.052001677453518e+00 +5.270959037839524e+02 -6.742980740964413e+00 +1.033107971416546e+03 3.244158275425434e+00 +2.024891623976431e+03 -5.321922097355127e+00 +3.968787582993804e+03 3.159269858151674e+00 +7.778823662667854e+03 -2.358979109994834e+00 +#BASIS SET: (22s) -> [1s] +U s +5.669391237529597e-03 -1.353319024201483e-01 +1.111200682555800e-02 -9.660844290629029e-01 +2.177953337809369e-02 -5.200717151165009e-01 +4.268788542106363e-02 2.076157741248608e-01 +8.366825542528468e-02 -1.107731265015900e+00 +1.639897806335580e-01 -1.926145143806934e+00 +3.214199700417737e-01 -5.896897070109844e+00 +6.299831412818762e-01 -2.625384487211704e+00 +1.234766956912478e+00 -1.013062518462539e+01 +2.420143235548455e+00 -9.934673838317394e+00 +4.743480741674971e+00 -7.738049641251564e+00 +9.297222253682943e+00 -8.674867950379848e+00 +1.822255561721856e+01 -2.382049842923880e+01 +3.571620900974838e+01 3.374369695782661e+00 +7.000376965910681e+01 -7.569886207580566e+00 +1.372073885318493e+02 -8.970690213143826e+00 +2.689264815224247e+02 2.935073629021645e+00 +5.270959037839524e+02 -7.423179559409618e+00 +1.033107971416546e+03 3.739980600774288e+00 +2.024891623976431e+03 -5.772472672164440e+00 +3.968787582993804e+03 3.453684289008379e+00 +7.778823662667854e+03 -2.498134279856458e+00 +#BASIS SET: (22s) -> [1s] +Np s +5.669391237529597e-03 -1.234615391877014e-01 +1.111200682555800e-02 -9.289832437643781e-01 +2.177953337809369e-02 -5.720182359218597e-01 +4.268788542106363e-02 2.424102956429124e-01 +8.366825542528468e-02 -1.092457658611238e+00 +1.639897806335580e-01 -1.771477743983269e+00 +3.214199700417737e-01 -5.858385838568211e+00 +6.299831412818762e-01 -2.989777233451605e+00 +1.234766956912478e+00 -1.014101423695683e+01 +2.420143235548455e+00 -1.038381466642022e+01 +4.743480741674971e+00 -7.983286090195179e+00 +9.297222253682943e+00 -7.613672576844692e+00 +1.822255561721856e+01 -2.437474665790796e+01 +3.571620900974838e+01 2.180019252002239e+00 +7.000376965910681e+01 -6.097694367170334e+00 +1.372073885318493e+02 -1.024182289093733e+01 +2.689264815224247e+02 3.655702807009220e+00 +5.270959037839524e+02 -7.974347047507763e+00 +1.033107971416546e+03 4.150974027812481e+00 +2.024891623976431e+03 -6.180103681981564e+00 +3.968787582993804e+03 3.734823038801551e+00 +7.778823662667854e+03 -2.636865711858263e+00 +#BASIS SET: (22s) -> [1s] +Pu s +5.669391237529597e-03 -1.808282653801143e-01 +1.111200682555800e-02 -1.040704732644372e+00 +2.177953337809369e-02 -1.721635372377932e-01 +4.268788542106363e-02 -6.241190154105425e-02 +8.366825542528468e-02 -3.388230009004474e-01 +1.639897806335580e-01 -2.512972561642528e+00 +3.214199700417737e-01 -4.828391702845693e+00 +6.299831412818762e-01 -3.494777385145426e+00 +1.234766956912478e+00 -1.145471151173115e+01 +2.420143235548455e+00 -9.526355043053627e+00 +4.743480741674971e+00 -9.532821312546730e+00 +9.297222253682943e+00 -5.210313335061073e+00 +1.822255561721856e+01 -2.604304954409599e+01 +3.571620900974838e+01 1.932770617306232e+00 +7.000376965910681e+01 -5.532703645527363e+00 +1.372073885318493e+02 -1.068035896122456e+01 +2.689264815224247e+02 3.678435578942299e+00 +5.270959037839524e+02 -7.983332961797714e+00 +1.033107971416546e+03 4.184863895177841e+00 +2.024891623976431e+03 -6.370209082961082e+00 +3.968787582993804e+03 3.927098492160439e+00 +7.778823662667854e+03 -2.758240098250099e+00 +#BASIS SET: (22s) -> [1s] +Am s +5.669391237529597e-03 -1.673922973568551e-01 +1.111200682555800e-02 -1.014199413824826e+00 +2.177953337809369e-02 -2.254825262352824e-01 +4.268788542106363e-02 -2.282713539898396e-03 +8.366825542528468e-02 -3.868766576051712e-01 +1.639897806335580e-01 -2.240859813988209e+00 +3.214199700417737e-01 -4.995486779138446e+00 +6.299831412818762e-01 -3.328747425228357e+00 +1.234766956912478e+00 -1.198685693368316e+01 +2.420143235548455e+00 -9.624104313552380e+00 +4.743480741674971e+00 -1.027703920751810e+01 +9.297222253682943e+00 -3.849224641919136e+00 +1.822255561721856e+01 -2.653660561144352e+01 +3.571620900974838e+01 6.943459138274193e-01 +7.000376965910681e+01 -4.240742988884449e+00 +1.372073885318493e+02 -1.164784119278193e+01 +2.689264815224247e+02 4.099678084254265e+00 +5.270959037839524e+02 -8.302366837859154e+00 +1.033107971416546e+03 4.447119846940041e+00 +2.024891623976431e+03 -6.704959720373154e+00 +3.968787582993804e+03 4.187215330079198e+00 +7.778823662667854e+03 -2.897290100168902e+00 +#BASIS SET: (22s) -> [1s] +Cm s +5.669391237529597e-03 -1.551567604183219e-01 +1.111200682555800e-02 -9.857792617985979e-01 +2.177953337809369e-02 -2.824516748078167e-01 +4.268788542106363e-02 6.375912111252546e-02 +8.366825542528468e-02 -4.545732587575912e-01 +1.639897806335580e-01 -1.948896868154407e+00 +3.214199700417737e-01 -5.185004590079188e+00 +6.299831412818762e-01 -3.079164616763592e+00 +1.234766956912478e+00 -1.253498131409287e+01 +2.420143235548455e+00 -9.741418056190014e+00 +4.743480741674971e+00 -1.109049291908741e+01 +9.297222253682943e+00 -2.523456417024136e+00 +1.822255561721856e+01 -2.685571140050888e+01 +3.571620900974838e+01 -6.589141413569450e-01 +7.000376965910681e+01 -2.970436856150627e+00 +1.372073885318493e+02 -1.252505093812943e+01 +2.689264815224247e+02 4.427462279796600e+00 +5.270959037839524e+02 -8.552881278097630e+00 +1.033107971416546e+03 4.670284762978554e+00 +2.024891623976431e+03 -7.024657268077135e+00 +3.968787582993804e+03 4.446066422387958e+00 +7.778823662667854e+03 -3.038544966781046e+00 +#BASIS SET: (22s) -> [1s] +Bk s +5.669391237529597e-03 -1.439688890823163e-01 +1.111200682555800e-02 -9.557477444177493e-01 +2.177953337809369e-02 -3.417415926232934e-01 +4.268788542106363e-02 1.334444610401988e-01 +8.366825542528468e-02 -5.361501881852746e-01 +1.639897806335580e-01 -1.648578587919474e+00 +3.214199700417737e-01 -5.381008282303810e+00 +6.299831412818762e-01 -2.784143645316362e+00 +1.234766956912478e+00 -1.304981960728765e+01 +2.420143235548455e+00 -9.908526100218296e+00 +4.743480741674971e+00 -1.194214257597923e+01 +9.297222253682943e+00 -1.273650728166103e+00 +1.822255561721856e+01 -2.697469735145569e+01 +3.571620900974838e+01 -2.133042141795158e+00 +7.000376965910681e+01 -1.719842426478863e+00 +1.372073885318493e+02 -1.331865151971579e+01 +2.689264815224247e+02 4.672259762883186e+00 +5.270959037839524e+02 -8.745993562042713e+00 +1.033107971416546e+03 4.863741166889668e+00 +2.024891623976431e+03 -7.335729938000441e+00 +3.968787582993804e+03 4.707028739154339e+00 +7.778823662667854e+03 -3.183039248979185e+00 +#BASIS SET: (22s) -> [1s] +Cf s +5.669391237529597e-03 -1.337184485455509e-01 +1.111200682555800e-02 -9.245803739177063e-01 +2.177953337809369e-02 -4.018485699780285e-01 +4.268788542106363e-02 2.041127486154437e-01 +8.366825542528468e-02 -6.253349035978317e-01 +1.639897806335580e-01 -1.350912002846599e+00 +3.214199700417737e-01 -5.568882834166288e+00 +6.299831412818762e-01 -2.474860761314631e+00 +1.234766956912478e+00 -1.349697358906269e+01 +2.420143235548455e+00 -1.014054124429822e+01 +4.743480741674971e+00 -1.281350427865982e+01 +9.297222253682943e+00 -1.275282278656960e-01 +1.822255561721856e+01 -2.688061032444239e+01 +3.571620900974838e+01 -3.724167205393314e+00 +7.000376965910681e+01 -4.939337894320488e-01 +1.372073885318493e+02 -1.403018176555634e+01 +2.689264815224247e+02 4.840297602117062e+00 +5.270959037839524e+02 -8.889122411608696e+00 +1.033107971416546e+03 5.033571921288967e+00 +2.024891623976431e+03 -7.641753200441599e+00 +3.968787582993804e+03 4.971423113718629e+00 +7.778823662667854e+03 -3.330951454612659e+00 +#BASIS SET: (22s) -> [1s] +Es s +5.669391237529597e-03 -1.242580397520214e-01 +1.111200682555800e-02 -8.926550226751715e-01 +2.177953337809369e-02 -4.615587308071554e-01 +4.268788542106363e-02 2.732697529718280e-01 +8.366825542528468e-02 -7.162469234317541e-01 +1.639897806335580e-01 -1.065536670386791e+00 +3.214199700417737e-01 -5.736024146899581e+00 +6.299831412818762e-01 -2.176395654678345e+00 +1.234766956912478e+00 -1.385338914021850e+01 +2.420143235548455e+00 -1.044245744124055e+01 +4.743480741674971e+00 -1.369331143051386e+01 +9.297222253682943e+00 8.947454541921616e-01 +1.822255561721856e+01 -2.656794760376215e+01 +3.571620900974838e+01 -5.423394814133644e+00 +7.000376965910681e+01 7.000342682003975e-01 +1.372073885318493e+02 -1.466048540174961e+01 +2.689264815224247e+02 4.937879838049412e+00 +5.270959037839524e+02 -8.990227743983269e+00 +1.033107971416546e+03 5.186886250972748e+00 +2.024891623976431e+03 -7.947772681713104e+00 +3.968787582993804e+03 5.242021460086107e+00 +7.778823662667854e+03 -3.483175578527153e+00 +#BASIS SET: (22s) -> [1s] +Fm s +5.669391237529597e-03 -1.154962820583023e-01 +1.111200682555800e-02 -8.604004954686388e-01 +2.177953337809369e-02 -5.196712291799486e-01 +4.268788542106363e-02 3.386262562125921e-01 +8.366825542528468e-02 -8.038109904155135e-01 +1.639897806335580e-01 -8.000100590288639e-01 +3.214199700417737e-01 -5.873289398849010e+00 +6.299831412818762e-01 -1.906217284500599e+00 +1.234766956912478e+00 -1.410734645649791e+01 +2.420143235548455e+00 -1.081011740118265e+01 +4.743480741674971e+00 -1.457688014954329e+01 +9.297222253682943e+00 1.780086681246758e+00 +1.822255561721856e+01 -2.603805390000343e+01 +3.571620900974838e+01 -7.217276640236378e+00 +7.000376965910681e+01 1.852273784577847e+00 +1.372073885318493e+02 -1.520869743824005e+01 +2.689264815224247e+02 4.969680577516556e+00 +5.270959037839524e+02 -9.055501647293568e+00 +1.033107971416546e+03 5.328795120120049e+00 +2.024891623976431e+03 -8.256720688194036e+00 +3.968787582993804e+03 5.519852213561535e+00 +7.778823662667854e+03 -3.639824572543148e+00 +#BASIS SET: (22s) -> [1s] +Md s +5.669391237529597e-03 -1.073108984855935e-01 +1.111200682555800e-02 -8.280816569458693e-01 +2.177953337809369e-02 -5.753412293270230e-01 +4.268788542106363e-02 3.983000479638577e-01 +8.366825542528468e-02 -8.838084908202291e-01 +1.639897806335580e-01 -5.602399539202452e-01 +3.214199700417737e-01 -5.973754523321986e+00 +6.299831412818762e-01 -1.677100311964750e+00 +1.234766956912478e+00 -1.425378919020295e+01 +2.420143235548455e+00 -1.123541148006916e+01 +4.743480741674971e+00 -1.546109911799431e+01 +9.297222253682943e+00 2.517895571887493e+00 +1.822255561721856e+01 -2.529494853317738e+01 +3.571620900974838e+01 -9.091512680053711e+00 +7.000376965910681e+01 2.954013928771019e+00 +1.372073885318493e+02 -1.567572806775570e+01 +2.689264815224247e+02 4.942304842174053e+00 +5.270959037839524e+02 -9.093109205365181e+00 +1.033107971416546e+03 5.466583758592606e+00 +2.024891623976431e+03 -8.573894906789064e+00 +3.968787582993804e+03 5.807966731488705e+00 +7.778823662667854e+03 -3.801934634684585e+00 +#BASIS SET: (22s) -> [1s] +No s +5.669391237529597e-03 -9.963213626178913e-02 +1.111200682555800e-02 -7.959898801054806e-01 +2.177953337809369e-02 -6.277839527465403e-01 +4.268788542106363e-02 4.507865374907851e-01 +8.366825542528468e-02 -9.530809307470918e-01 +1.639897806335580e-01 -3.500305172055960e-01 +3.214199700417737e-01 -6.033745063468814e+00 +6.299831412818762e-01 -1.495912410318851e+00 +1.234766956912478e+00 -1.429476228728890e+01 +2.420143235548455e+00 -1.170602192729712e+01 +4.743480741674971e+00 -1.634539244323969e+01 +9.297222253682943e+00 3.101218700408936e+00 +1.822255561721856e+01 -2.434630120545626e+01 +3.571620900974838e+01 -1.102992667257786e+01 +7.000376965910681e+01 3.995892629027367e+00 +1.372073885318493e+02 -1.606209426373243e+01 +2.689264815224247e+02 4.861623115837574e+00 +5.270959037839524e+02 -9.110062539577484e+00 +1.033107971416546e+03 5.605951577425003e+00 +2.024891623976431e+03 -8.902741361409426e+00 +3.968787582993804e+03 6.107818471267819e+00 +7.778823662667854e+03 -3.969813440024154e+00 +#BASIS SET: (23s) -> [1s] +Lr s +5.669391237529597e-03 -2.076869480079040e-01 +1.111200682555800e-02 -3.866426259046420e-01 +2.177953337809369e-02 -9.770468715578318e-01 +4.268788542106363e-02 3.734544264152646e-01 +8.366825542528468e-02 -1.211405820213258e+00 +1.639897806335580e-01 -2.761519011110067e-01 +3.214199700417737e-01 -5.387164622545242e+00 +6.299831412818762e-01 -3.173139818012714e+00 +1.234766956912478e+00 -1.127758486196399e+01 +2.420143235548455e+00 -1.449712983518839e+01 +4.743480741674971e+00 -1.540434964746237e+01 +9.297222253682943e+00 1.987487092614174e+00 +1.822255561721856e+01 -2.225407270342112e+01 +3.571620900974838e+01 -1.322711810469627e+01 +7.000376965910681e+01 4.306337967514992e+00 +1.372073885318493e+02 -1.451098837703466e+01 +2.689264815224247e+02 1.218488104641438e+00 +5.270959037839524e+02 -3.422169759869576e+00 +1.033107971416546e+03 -2.420529164373875e+00 +2.024891623976431e+03 8.187164515256882e-01 +3.968787582993804e+03 -3.299996808171272e+00 +7.778823662667854e+03 2.068676440045238e+00 +1.524649437882899e+04 -1.839982613222674e+00 +#BASIS SET: (23s) -> [1s] +Rf s +5.669391237529597e-03 -6.944905169075355e-02 +1.111200682555800e-02 -4.403933639405295e-01 +2.177953337809369e-02 -9.806777541525662e-01 +4.268788542106363e-02 1.093323398381472e-01 +8.366825542528468e-02 -8.137142313644290e-01 +1.639897806335580e-01 -1.196130972355604e+00 +3.214199700417737e-01 -4.091508496552706e+00 +6.299831412818762e-01 -5.033043496310711e+00 +1.234766956912478e+00 -9.068642422556877e+00 +2.420143235548455e+00 -1.568518631905317e+01 +4.743480741674971e+00 -1.588120245933533e+01 +9.297222253682943e+00 1.701615564525127e+00 +1.822255561721856e+01 -2.055146754533052e+01 +3.571620900974838e+01 -1.542404924333096e+01 +7.000376965910681e+01 5.277545966207981e+00 +1.372073885318493e+02 -1.470266138762236e+01 +2.689264815224247e+02 8.781811669468880e-01 +5.270959037839524e+02 -3.093938939273357e+00 +1.033107971416546e+03 -2.762844569981098e+00 +2.024891623976431e+03 1.097673065960407e+00 +3.968787582993804e+03 -3.604206483811140e+00 +7.778823662667854e+03 2.296640763059258e+00 +1.524649437882899e+04 -1.961872129875701e+00 +#BASIS SET: (22s) -> [1s] +Db s +1.111200682555800e-02 -4.652755548013374e-01 +2.177953337809369e-02 -7.611002315534279e-01 +4.268788542106363e-02 -4.999502995051444e-01 +8.366825542528468e-02 -4.050807096064091e-02 +1.639897806335580e-01 -2.214340195059776e+00 +3.214199700417737e-01 -3.172644775360823e+00 +6.299831412818762e-01 -6.176056735217571e+00 +1.234766956912478e+00 -8.073861695826054e+00 +2.420143235548455e+00 -1.546156182140112e+01 +4.743480741674971e+00 -1.735617944598198e+01 +9.297222253682943e+00 1.961168743669987e+00 +1.822255561721856e+01 -1.928375438600779e+01 +3.571620900974838e+01 -1.710587573051453e+01 +7.000376965910681e+01 5.713675692677498e+00 +1.372073885318493e+02 -1.443148356676102e+01 +2.689264815224247e+02 1.732653602957726e-01 +5.270959037839524e+02 -2.490072324872017e+00 +1.033107971416546e+03 -3.311490021646023e+00 +2.024891623976431e+03 1.525614164769650e+00 +3.968787582993804e+03 -4.004154346883297e+00 +7.778823662667854e+03 2.571645865216851e+00 +1.524649437882899e+04 -2.097060624277219e+00 +#BASIS SET: (22s) -> [1s] +Sg s +1.111200682555800e-02 -3.045544241613243e-01 +2.177953337809369e-02 -8.784502102062106e-01 +4.268788542106363e-02 -5.244774613529444e-01 +8.366825542528468e-02 -4.819947388023138e-02 +1.639897806335580e-01 -2.177059138193727e+00 +3.214199700417737e-01 -3.488592319190502e+00 +6.299831412818762e-01 -6.099358469247818e+00 +1.234766956912478e+00 -8.420821122825146e+00 +2.420143235548455e+00 -1.402549326419830e+01 +4.743480741674971e+00 -1.951544157415628e+01 +9.297222253682943e+00 2.499071449041367e+00 +1.822255561721856e+01 -1.825488073378801e+01 +3.571620900974838e+01 -1.842986221611500e+01 +7.000376965910681e+01 5.755417414009571e+00 +1.372073885318493e+02 -1.382516340166330e+01 +2.689264815224247e+02 -7.845389172434807e-01 +5.270959037839524e+02 -1.703120648860931e+00 +1.033107971416546e+03 -3.994852289557457e+00 +2.024891623976431e+03 2.052515700459480e+00 +3.968787582993804e+03 -4.470606852322817e+00 +7.778823662667854e+03 2.881532697007060e+00 +1.524649437882899e+04 -2.243064743553987e+00 +#BASIS SET: (22s) -> [1s] +Bh s +1.111200682555800e-02 -2.039901319076307e-01 +2.177953337809369e-02 -8.755862119141966e-01 +4.268788542106363e-02 -6.225869879126549e-01 +8.366825542528468e-02 -5.372131429612637e-02 +1.639897806335580e-01 -1.990875180810690e+00 +3.214199700417737e-01 -3.971242547035217e+00 +6.299831412818762e-01 -5.937392979860306e+00 +1.234766956912478e+00 -8.950123462826014e+00 +2.420143235548455e+00 -1.253388584032655e+01 +4.743480741674971e+00 -2.132361087203026e+01 +9.297222253682943e+00 2.472003541886806e+00 +1.822255561721856e+01 -1.678556100279093e+01 +3.571620900974838e+01 -1.996716338396072e+01 +7.000376965910681e+01 5.898804366588593e+00 +1.372073885318493e+02 -1.331424928456545e+01 +2.689264815224247e+02 -1.629177615046501e+00 +5.270959037839524e+02 -1.033586226403713e+00 +1.033107971416546e+03 -4.579667486250401e+00 +2.024891623976431e+03 2.513959832489491e+00 +3.968787582993804e+03 -4.906306348741055e+00 +7.778823662667854e+03 3.184969997033477e+00 +1.524649437882899e+04 -2.391010861319955e+00 +#BASIS SET: (22s) -> [1s] +Hs s +1.111200682555800e-02 -1.379894994606730e-01 +2.177953337809369e-02 -8.221771061653271e-01 +4.268788542106363e-02 -7.196875209920108e-01 +8.366825542528468e-02 -1.021925006061792e-01 +1.639897806335580e-01 -1.706369707360864e+00 +3.214199700417737e-01 -4.451019082218409e+00 +6.299831412818762e-01 -5.890876110643148e+00 +1.234766956912478e+00 -9.443981345742941e+00 +2.420143235548455e+00 -1.122144777327776e+01 +4.743480741674971e+00 -2.260747550427914e+01 +9.297222253682943e+00 1.806908465921879e+00 +1.822255561721856e+01 -1.486723356693983e+01 +3.571620900974838e+01 -2.171006149798632e+01 +7.000376965910681e+01 6.141753710806370e+00 +1.372073885318493e+02 -1.290330071002245e+01 +2.689264815224247e+02 -2.353687956929207e+00 +5.270959037839524e+02 -4.877677857875824e-01 +1.033107971416546e+03 -5.061428084969521e+00 +2.024891623976431e+03 2.907035022974014e+00 +3.968787582993804e+03 -5.309388797730207e+00 +7.778823662667854e+03 3.480888668447733e+00 +1.524649437882899e+04 -2.540501317038434e+00 +#BASIS SET: (22s) -> [1s] +Mt s +1.111200682555800e-02 -9.332216647453606e-02 +2.177953337809369e-02 -7.480531556066126e-01 +4.268788542106363e-02 -7.969586420804262e-01 +8.366825542528468e-02 -1.834784420207143e-01 +1.639897806335580e-01 -1.395777802914381e+00 +3.214199700417737e-01 -4.810781829059124e+00 +6.299831412818762e-01 -6.044314961880445e+00 +1.234766956912478e+00 -9.837139751762152e+00 +2.420143235548455e+00 -1.015103238075972e+01 +4.743480741674971e+00 -2.336214219033718e+01 +9.297222253682943e+00 5.765081495046616e-01 +1.822255561721856e+01 -1.260998546332121e+01 +3.571620900974838e+01 -2.355453834682703e+01 +7.000376965910681e+01 6.402202025055885e+00 +1.372073885318493e+02 -1.252901194989681e+01 +2.689264815224247e+02 -3.008824542164803e+00 +5.270959037839524e+02 -2.374717593193054e-02 +1.033107971416546e+03 -5.474140882492065e+00 +2.024891623976431e+03 3.257214158773422e+00 +3.968787582993804e+03 -5.696174461394548e+00 +7.778823662667854e+03 3.777248233556747e+00 +1.524649437882899e+04 -2.693748421967030e+00 +#BASIS SET: (22s) -> [1s] +Ds s +1.111200682555800e-02 -1.995671458716970e-01 +2.177953337809369e-02 -4.459556248039007e-01 +4.268788542106363e-02 -9.771995279006660e-01 +8.366825542528468e-02 -2.456456795334816e-01 +1.639897806335580e-01 -1.305093985050917e+00 +3.214199700417737e-01 -4.873500237241387e+00 +6.299831412818762e-01 -6.429755941033363e+00 +1.234766956912478e+00 -9.863170556724072e+00 +2.420143235548455e+00 -9.749161645770073e+00 +4.743480741674971e+00 -2.309777979552746e+01 +9.297222253682943e+00 -1.463651493191719e+00 +1.822255561721856e+01 -1.024481665343046e+01 +3.571620900974838e+01 -2.499762792885303e+01 +7.000376965910681e+01 6.283671714365482e+00 +1.372073885318493e+02 -1.200302046537399e+01 +2.689264815224247e+02 -3.657785058021545e+00 +5.270959037839524e+02 3.756907209753990e-01 +1.033107971416546e+03 -5.832568585872650e+00 +2.024891623976431e+03 3.579536281526089e+00 +3.968787582993804e+03 -6.077156092971563e+00 +7.778823662667854e+03 4.076511904597282e+00 +1.524649437882899e+04 -2.851954204292269e+00 +#BASIS SET: (22s) -> [1s] +Rg s +1.111200682555800e-02 -1.448184961918741e-01 +2.177953337809369e-02 -4.663955837022513e-01 +4.268788542106363e-02 -8.987504253163934e-01 +8.366825542528468e-02 -4.235117658972740e-01 +1.639897806335580e-01 -9.955350458621979e-01 +3.214199700417737e-01 -5.015688039362431e+00 +6.299831412818762e-01 -6.785548545420170e+00 +1.234766956912478e+00 -1.020962991937995e+01 +2.420143235548455e+00 -9.032089211046696e+00 +4.743480741674971e+00 -2.314141787588596e+01 +9.297222253682943e+00 -3.265352293848991e+00 +1.822255561721856e+01 -7.891449928283691e+00 +3.571620900974838e+01 -2.658166971057653e+01 +7.000376965910681e+01 6.247406914830208e+00 +1.372073885318493e+02 -1.145577003061771e+01 +2.689264815224247e+02 -4.373009741306305e+00 +5.270959037839524e+02 8.430342748761177e-01 +1.033107971416546e+03 -6.242642581462860e+00 +2.024891623976431e+03 3.943401880562305e+00 +3.968787582993804e+03 -6.492352679371834e+00 +7.778823662667854e+03 4.401135925203562e+00 +1.524649437882899e+04 -3.019347121939063e+00 +#BASIS SET: (23s) -> [1s] +Cn s +1.111200682555800e-02 -1.059570336656179e-01 +2.177953337809369e-02 -4.592923193704337e-01 +4.268788542106363e-02 -8.516599470749497e-01 +8.366825542528468e-02 -5.456040157005191e-01 +1.639897806335580e-01 -7.881340775638819e-01 +3.214199700417737e-01 -4.963086962699890e+00 +6.299831412818762e-01 -7.277985539287329e+00 +1.234766956912478e+00 -1.052677243947983e+01 +2.420143235548455e+00 -8.518683023750782e+00 +4.743480741674971e+00 -2.276467013359070e+01 +9.297222253682943e+00 -5.476132631301880e+00 +1.822255561721856e+01 -5.247318945825100e+00 +3.571620900974838e+01 -2.848588374257088e+01 +7.000376965910681e+01 6.839964538812637e+00 +1.372073885318493e+02 -1.209961232542992e+01 +2.689264815224247e+02 -3.084438309073448e+00 +5.270959037839524e+02 -1.826912224292755e+00 +1.033107971416546e+03 -2.015772208571434e+00 +2.024891623976431e+03 -2.040910355746746e+00 +3.968787582993804e+03 7.169900834560394e-01 +7.778823662667854e+03 -2.542841114103794e+00 +1.524649437882899e+04 1.428605254739523e+00 +2.988312898250482e+04 -1.363892527908320e+00 +#BASIS SET: (25s) -> [1s] +Nh s +2.892546549759998e-03 -1.405957267998019e-01 +5.669391237529597e-03 -2.663000557804480e-01 +1.111200682555800e-02 -3.171698760706931e-01 +2.177953337809369e-02 -9.335404634475708e-02 +4.268788542106363e-02 1.591010019183159e-01 +8.366825542528468e-02 -1.379127761349082e+00 +1.639897806335580e-01 -2.135509831830859e+00 +3.214199700417737e-01 -2.738474797457457e+00 +6.299831412818762e-01 -8.558581717312336e+00 +1.234766956912478e+00 -1.022353810817003e+01 +2.420143235548455e+00 -8.761396057903767e+00 +4.743480741674971e+00 -2.185213998705149e+01 +9.297222253682943e+00 -7.855398841202259e+00 +1.822255561721856e+01 -2.814966946840286e+00 +3.571620900974838e+01 -2.986094777286053e+01 +7.000376965910681e+01 6.633702680468559e+00 +1.372073885318493e+02 -1.156701187789440e+01 +2.689264815224247e+02 -3.613168016076088e+00 +5.270959037839524e+02 -1.678209900856018e+00 +1.033107971416546e+03 -1.997388839721680e+00 +2.024891623976431e+03 -2.211445450782776e+00 +3.968787582993804e+03 9.105392247438431e-01 +7.778823662667854e+03 -2.787097755819559e+00 +1.524649437882899e+04 1.623091967776418e+00 +2.988312898250482e+04 -1.474611506782821e+00 +#BASIS SET: (25s) -> [1s] +Fl s +2.892546549759998e-03 -3.748540421656799e-02 +5.669391237529597e-03 -2.673735170392320e-01 +1.111200682555800e-02 -4.764449631329626e-01 +2.177953337809369e-02 -2.628495059907436e-01 +4.268788542106363e-02 -4.448868334293365e-02 +8.366825542528468e-02 -6.424764785915613e-01 +1.639897806335580e-01 -2.671887794509530e+00 +3.214199700417737e-01 -3.355524387210608e+00 +6.299831412818762e-01 -7.061743471771479e+00 +1.234766956912478e+00 -1.177526802942157e+01 +2.420143235548455e+00 -7.741591490805149e+00 +4.743480741674971e+00 -2.195555992424488e+01 +9.297222253682943e+00 -9.242203012108803e+00 +1.822255561721856e+01 -1.431701682507992e+00 +3.571620900974838e+01 -3.021223977208138e+01 +7.000376965910681e+01 5.557557255029678e+00 +1.372073885318493e+02 -1.035419473052025e+01 +2.689264815224247e+02 -4.668149232864380e+00 +5.270959037839524e+02 -1.115047231316566e+00 +1.033107971416546e+03 -2.309611454606056e+00 +2.024891623976431e+03 -2.127569019794464e+00 +3.968787582993804e+03 9.288666769862175e-01 +7.778823662667854e+03 -2.934448607265949e+00 +1.524649437882899e+04 1.782229809090495e+00 +2.988312898250482e+04 -1.580795347763342e+00 +#BASIS SET: (24s) -> [1s] +Mc s +5.669391237529597e-03 -2.230956765124574e-01 +1.111200682555800e-02 -4.275332367978990e-01 +2.177953337809369e-02 -6.120174406096339e-01 +4.268788542106363e-02 7.849087286740541e-02 +8.366825542528468e-02 -7.850486896932125e-01 +1.639897806335580e-01 -2.209176387637854e+00 +3.214199700417737e-01 -4.454601831734180e+00 +6.299831412818762e-01 -5.957179173827171e+00 +1.234766956912478e+00 -1.241698449477553e+01 +2.420143235548455e+00 -7.649506077170372e+00 +4.743480741674971e+00 -2.128970930725336e+01 +9.297222253682943e+00 -1.114714700728655e+01 +1.822255561721856e+01 2.134333774447441e-01 +3.571620900974838e+01 -3.069167381525040e+01 +7.000376965910681e+01 4.621503040194511e+00 +1.372073885318493e+02 -9.336670845746994e+00 +2.689264815224247e+02 -5.500473782420158e+00 +5.270959037839524e+02 -7.673402428627014e-01 +1.033107971416546e+03 -2.436516121029854e+00 +2.024891623976431e+03 -2.191989220678806e+00 +3.968787582993804e+03 1.059284240007401e+00 +7.778823662667854e+03 -3.158235449343920e+00 +1.524649437882899e+04 1.982557207345963e+00 +2.988312898250482e+04 -1.700369937228970e+00 +#BASIS SET: (24s) -> [1s] +Lv s +5.669391237529597e-03 -1.199206945020705e-01 +1.111200682555800e-02 -4.613271784037352e-01 +2.177953337809369e-02 -6.855832785367966e-01 +4.268788542106363e-02 -1.027895240113139e-01 +8.366825542528468e-02 -6.522260811179876e-01 +1.639897806335580e-01 -2.209658794105053e+00 +3.214199700417737e-01 -4.815421182662249e+00 +6.299831412818762e-01 -5.885591249912977e+00 +1.234766956912478e+00 -1.204549064487219e+01 +2.420143235548455e+00 -8.326946698129177e+00 +4.743480741674971e+00 -2.007405796647072e+01 +9.297222253682943e+00 -1.336442005634308e+01 +1.822255561721856e+01 1.951918564736843e+00 +3.571620900974838e+01 -3.117068122327328e+01 +7.000376965910681e+01 3.726417347788811e+00 +1.372073885318493e+02 -8.432810276746750e+00 +2.689264815224247e+02 -6.181099355220795e+00 +5.270959037839524e+02 -5.725564509630203e-01 +1.033107971416546e+03 -2.432108327746391e+00 +2.024891623976431e+03 -2.360715553164482e+00 +3.968787582993804e+03 1.269260756671429e+00 +7.778823662667854e+03 -3.437745671719313e+00 +1.524649437882899e+04 2.213923193514347e+00 +2.988312898250482e+04 -1.830369654810056e+00 +#BASIS SET: (24s) -> [1s] +Ts s +5.669391237529597e-03 -6.535409932257608e-02 +1.111200682555800e-02 -4.144175292458385e-01 +2.177953337809369e-02 -7.596182110719383e-01 +4.268788542106363e-02 -2.718570847064257e-01 +8.366825542528468e-02 -5.134430509060621e-01 +1.639897806335580e-01 -2.298780752345920e+00 +3.214199700417737e-01 -5.017770498991013e+00 +6.299831412818762e-01 -6.074840996414423e+00 +1.234766956912478e+00 -1.152272845804691e+01 +2.420143235548455e+00 -8.972777687013149e+00 +4.743480741674971e+00 -1.898746820539236e+01 +9.297222253682943e+00 -1.533041706681252e+01 +1.822255561721856e+01 3.320881694555283e+00 +3.571620900974838e+01 -3.127121196687222e+01 +7.000376965910681e+01 2.558905228972435e+00 +1.372073885318493e+02 -7.376126974821091e+00 +2.689264815224247e+02 -6.938956975936890e+00 +5.270959037839524e+02 -3.360605239868164e-01 +1.033107971416546e+03 -2.456331998109818e+00 +2.024891623976431e+03 -2.510406054556370e+00 +3.968787582993804e+03 1.473719872534275e+00 +7.778823662667854e+03 -3.724990546703339e+00 +1.524649437882899e+04 2.458101103082299e+00 +2.988312898250482e+04 -1.968049217888620e+00 +#BASIS SET: (24s) -> [1s] +Og s +5.669391237529597e-03 -3.538035970996134e-02 +1.111200682555800e-02 -3.474737472133711e-01 +2.177953337809369e-02 -7.940282211638987e-01 +4.268788542106363e-02 -4.510640408843756e-01 +8.366825542528468e-02 -3.773445468395948e-01 +1.639897806335580e-01 -2.362233161926270e+00 +3.214199700417737e-01 -5.257983461022377e+00 +6.299831412818762e-01 -6.281871207058430e+00 +1.234766956912478e+00 -1.109199995920062e+01 +2.420143235548455e+00 -9.411058798432350e+00 +4.743480741674971e+00 -1.813348460197449e+01 +9.297222253682943e+00 -1.698943168669939e+01 +1.822255561721856e+01 4.298737734556198e+00 +3.571620900974838e+01 -3.099616803228855e+01 +7.000376965910681e+01 1.133232668042183e+00 +1.372073885318493e+02 -6.181470900774002e+00 +2.689264815224247e+02 -7.763397455215454e+00 +5.270959037839524e+02 -6.366993486881256e-02 +1.033107971416546e+03 -2.507139965891838e+00 +2.024891623976431e+03 -2.640993684530258e+00 +3.968787582993804e+03 1.671558074653149e+00 +7.778823662667854e+03 -4.018248077481985e+00 +1.524649437882899e+04 2.713361747562885e+00 +2.988312898250482e+04 -2.112448381638387e+00 diff --git a/pyscf/gto/basis/grasp_small.dat b/pyscf/gto/basis/grasp_small.dat new file mode 100644 index 0000000000..d97e99aebc --- /dev/null +++ b/pyscf/gto/basis/grasp_small.dat @@ -0,0 +1,1421 @@ +BASIS "ao basis" PRINT +#BASIS SET: (3s) -> [1s] +H s +3.570467226624002e-02 -7.093443812209541e-01 +1.156831381426176e-01 1.773478345767412e-01 +3.748133675820811e-01 -4.680034533557871e-01 +#BASIS SET: (4s) -> [1s] +He s +3.570467226624002e-02 -9.105023689038774e-01 +1.156831381426176e-01 3.936408429904326e-01 +3.748133675820811e-01 -6.503314997020482e-01 +1.214395310965943e+00 -8.328069743845070e-01 +#BASIS SET: (6s) -> [1s] +Li s +1.101996057600000e-02 -9.514244576392343e-01 +3.570467226624002e-02 1.219872602820260e-02 +1.156831381426176e-01 2.488540117468858e-01 +3.748133675820811e-01 -1.041564639314430e+00 +1.214395310965943e+00 -1.890949461023013e-01 +3.934640807529656e+00 -1.078968694719123e+00 +#BASIS SET: (6s) -> [1s] +Be s +1.101996057600000e-02 -3.733117104118833e-01 +3.570467226624002e-02 -9.552914830540544e-01 +1.156831381426176e-01 9.464046666860781e-02 +3.748133675820811e-01 -1.194926861090494e+00 +1.214395310965943e+00 2.762798723086632e-01 +3.934640807529656e+00 -1.847390284420840e+00 +#BASIS SET: (7s) -> [1s] +B s +1.101996057600000e-02 -2.225364389478202e-01 +3.570467226624002e-02 -8.680072493465048e-01 +1.156831381426176e-01 -3.916046580580996e-01 +3.748133675820811e-01 -1.358679346916347e+00 +1.214395310965943e+00 -5.207065535896618e-01 +3.934640807529656e+00 -6.897883534468292e-01 +1.274823621639609e+01 -9.486773996947377e-01 +#BASIS SET: (6s) -> [1s] +C s +3.570467226624002e-02 -1.136519665493665e+00 +1.156831381426176e-01 -2.498467930820425e-04 +3.748133675820811e-01 -2.115532181039043e+00 +1.214395310965943e+00 -9.884645655383792e-01 +3.934640807529656e+00 -2.930740295577721e-01 +1.274823621639609e+01 -1.466159711578058e+00 +#BASIS SET: (6s) -> [1s] +N s +3.570467226624002e-02 -8.172296733672226e-01 +1.156831381426176e-01 -4.364148178255789e-01 +3.748133675820811e-01 -1.571092605786532e+00 +1.214395310965943e+00 -2.619424389221194e+00 +3.934640807529656e+00 5.436660176948749e-01 +1.274823621639609e+01 -2.099504531494347e+00 +#BASIS SET: (6s) -> [1s] +O s +3.570467226624002e-02 -5.685287409965696e-01 +1.156831381426176e-01 -7.824877752034922e-01 +3.748133675820811e-01 -9.162166955451880e-01 +1.214395310965943e+00 -4.088082206519402e+00 +3.934640807529656e+00 9.583332513352047e-01 +1.274823621639609e+01 -2.603017833070552e+00 +#BASIS SET: (6s) -> [1s] +F s +3.570467226624002e-02 -3.778938280743489e-01 +1.156831381426176e-01 -1.034335108290691e+00 +3.748133675820811e-01 -3.398496196311385e-01 +1.214395310965943e+00 -5.125165526360092e+00 +3.934640807529656e+00 8.654114436591840e-01 +1.274823621639609e+01 -2.988167361302914e+00 +#BASIS SET: (7s) -> [1s] +Ne s +3.570467226624002e-02 -2.799594912757186e-01 +1.156831381426176e-01 -9.595871515351178e-01 +3.748133675820811e-01 -6.081152180975096e-01 +1.214395310965943e+00 -4.135569196524784e+00 +3.934640807529656e+00 -2.424450744689011e+00 +1.274823621639609e+01 -7.252242575282253e-02 +4.130428534112331e+01 -1.519795772125036e+00 +#BASIS SET: (8s) -> [1s] +Na s +1.101996057600000e-02 -1.144525656480667e+00 +3.570467226624002e-02 3.837959776928983e-01 +1.156831381426176e-01 -1.822449459532436e-01 +3.748133675820811e-01 -2.052472214945055e+00 +1.214395310965943e+00 -2.316725936702824e+00 +3.934640807529656e+00 -4.231067858845108e+00 +1.274823621639609e+01 4.492876015874572e-01 +4.130428534112331e+01 -1.906046966353458e+00 +#BASIS SET: (8s) -> [1s] +Mg s +1.101996057600000e-02 -6.752333411997995e-01 +3.570467226624002e-02 -7.835971573521192e-01 +1.156831381426176e-01 4.667277652652047e-02 +3.748133675820811e-01 -1.834346020889825e+00 +1.214395310965943e+00 -2.391664376000335e+00 +3.934640807529656e+00 -4.329223515783724e+00 +1.274823621639609e+01 1.760177278129049e-03 +4.130428534112331e+01 -2.034368542578846e+00 +#BASIS SET: (8s) -> [1s] +Al s +1.101996057600000e-02 -7.224300859792265e-01 +3.570467226624002e-02 -5.246892804584604e-01 +1.156831381426176e-01 -1.036818945974119e+00 +3.748133675820811e-01 -1.270008360156226e+00 +1.214395310965943e+00 -2.447762761802551e+00 +3.934640807529656e+00 -4.392597658229533e+00 +1.274823621639609e+01 -3.898569378138745e-01 +4.130428534112331e+01 -2.215835969586010e+00 +#BASIS SET: (8s) -> [1s] +Si s +1.101996057600000e-02 -4.576370652653452e-01 +3.570467226624002e-02 -9.019714201739362e-01 +1.156831381426176e-01 -9.594175020386047e-01 +3.748133675820811e-01 -2.179835267374528e+00 +1.214395310965943e+00 -1.541216993835405e+00 +3.934640807529656e+00 -5.034144400921832e+00 +1.274823621639609e+01 -3.738103597529516e-01 +4.130428534112331e+01 -2.551966990637396e+00 +#BASIS SET: (8s) -> [1s] +P s +1.101996057600000e-02 -2.544080181411630e-01 +3.570467226624002e-02 -1.107280811365627e+00 +1.156831381426176e-01 -7.770619578961941e-01 +3.748133675820811e-01 -3.227164057482241e+00 +1.214395310965943e+00 -9.212211202429899e-01 +3.934640807529656e+00 -5.376555094846481e+00 +1.274823621639609e+01 -4.466294275730434e-01 +4.130428534112331e+01 -2.889679512452261e+00 +#BASIS SET: (7s) -> [1s] +S s +3.570467226624002e-02 -1.538168291572646e+00 +1.156831381426176e-01 -7.837927175660298e-02 +3.748133675820811e-01 -4.566363361131835e+00 +1.214395310965943e+00 -4.810702192148710e-01 +3.934640807529656e+00 -5.562410536977495e+00 +1.274823621639609e+01 -5.245663785694887e-01 +4.130428534112331e+01 -3.249041940777062e+00 +#BASIS SET: (7s) -> [1s] +Cl s +3.570467226624002e-02 -1.251226024325035e+00 +1.156831381426176e-01 -3.426916386744097e-01 +3.748133675820811e-01 -4.618830009917929e+00 +1.214395310965943e+00 -1.448387551888118e+00 +3.934640807529656e+00 -4.792768932002218e+00 +1.274823621639609e+01 -1.050967866522797e+00 +4.130428534112331e+01 -3.495127976669494e+00 +#BASIS SET: (8s) -> [1s] +Ar s +3.570467226624002e-02 -9.880585676299347e-01 +1.156831381426176e-01 -6.632747604994620e-01 +3.748133675820811e-01 -4.075462398526270e+00 +1.214395310965943e+00 -3.633823364805721e+00 +3.934640807529656e+00 -2.146570883552158e+00 +1.274823621639609e+01 -4.621959289476763e+00 +4.130428534112331e+01 -2.114451051688775e-01 +1.338258845052396e+02 -1.659405630340814e+00 +#BASIS SET: (10s) -> [1s] +K s +3.401222400000001e-03 -1.895623938521567e-01 +1.101996057600000e-02 -1.205028546701783e+00 +3.570467226624002e-02 9.402986851437163e-01 +1.156831381426176e-01 -1.781742509026571e+00 +3.748133675820811e-01 -3.693230688625590e+00 +1.214395310965943e+00 -3.877962542000205e+00 +3.934640807529656e+00 -2.422142409823209e+00 +1.274823621639609e+01 -4.477939212978526e+00 +4.130428534112331e+01 -5.510539426022660e-01 +1.338258845052396e+02 -1.741636439533409e+00 +#BASIS SET: (9s) -> [1s] +Ca s +1.101996057600000e-02 -1.301418294131906e+00 +3.570467226624002e-02 -1.676384050847446e-02 +1.156831381426176e-01 -8.806691087775107e-01 +3.748133675820811e-01 -4.151771458114126e+00 +1.214395310965943e+00 -3.920383601791400e+00 +3.934640807529656e+00 -2.614561222991142e+00 +1.274823621639609e+01 -4.474518054804321e+00 +4.130428534112331e+01 -7.660134991056111e-01 +1.338258845052396e+02 -1.873900919775508e+00 +#BASIS SET: (9s) -> [1s] +Sc s +1.101996057600000e-02 -1.101788591616184e+00 +3.570467226624002e-02 -3.148860488820446e-01 +1.156831381426176e-01 -7.500164793864315e-01 +3.748133675820811e-01 -3.998451520220442e+00 +1.214395310965943e+00 -4.912802656911481e+00 +3.934640807529656e+00 -2.318253875346272e+00 +1.274823621639609e+01 -4.725986740925691e+00 +4.130428534112331e+01 -8.208437166085787e-01 +1.338258845052396e+02 -2.056970370102874e+00 +#BASIS SET: (9s) -> [1s] +Ti s +1.101996057600000e-02 -9.671328047047041e-01 +3.570467226624002e-02 -4.644381161906495e-01 +1.156831381426176e-01 -6.931382574252893e-01 +3.748133675820811e-01 -3.773963608323356e+00 +1.214395310965943e+00 -5.823164528557754e+00 +3.934640807529656e+00 -2.338150373678218e+00 +1.274823621639609e+01 -4.744251431472549e+00 +4.130428534112331e+01 -9.805524596340547e-01 +1.338258845052396e+02 -2.215208420013425e+00 +#BASIS SET: (9s) -> [1s] +V s +1.101996057600000e-02 -8.634516947988686e-01 +3.570467226624002e-02 -5.592038038810188e-01 +1.156831381426176e-01 -6.498158103954665e-01 +3.748133675820811e-01 -3.537187068330240e+00 +1.214395310965943e+00 -6.566264183515159e+00 +3.934640807529656e+00 -2.682871959171280e+00 +1.274823621639609e+01 -4.564159998510149e+00 +4.130428534112331e+01 -1.221690820890217e+00 +1.338258845052396e+02 -2.355354660507601e+00 +#BASIS SET: (9s) -> [1s] +Cr s +1.101996057600000e-02 -7.783204665602170e-01 +3.570467226624002e-02 -6.281491690692746e-01 +1.156831381426176e-01 -6.062071141886918e-01 +3.748133675820811e-01 -3.314258616358529e+00 +1.214395310965943e+00 -7.116387355648840e+00 +3.934640807529656e+00 -3.314932618523017e+00 +1.274823621639609e+01 -4.245645576431343e+00 +4.130428534112331e+01 -1.508444195503216e+00 +1.338258845052396e+02 -2.487654887716872e+00 +#BASIS SET: (9s) -> [1s] +Mn s +1.101996057600000e-02 -7.056605975407138e-01 +3.570467226624002e-02 -6.834738469440254e-01 +1.156831381426176e-01 -5.577127173551162e-01 +3.748133675820811e-01 -3.119549987563914e+00 +1.214395310965943e+00 -7.474301351583563e+00 +3.934640807529656e+00 -4.178339582492299e+00 +1.274823621639609e+01 -3.854861662490293e+00 +4.130428534112331e+01 -1.803401128380756e+00 +1.338258845052396e+02 -2.622699125649319e+00 +#BASIS SET: (9s) -> [1s] +Fe s +1.101996057600000e-02 -6.420447365559312e-01 +3.570467226624002e-02 -7.310090688361015e-01 +1.156831381426176e-01 -5.030696884455210e-01 +3.748133675820811e-01 -2.959364955824640e+00 +1.214395310965943e+00 -7.656302354407671e+00 +3.934640807529656e+00 -5.210147450547083e+00 +1.274823621639609e+01 -3.455655089676839e+00 +4.130428534112331e+01 -2.072450755614227e+00 +1.338258845052396e+02 -2.769955900091986e+00 +#BASIS SET: (9s) -> [1s] +Co s +1.101996057600000e-02 -5.853748838313209e-01 +3.570467226624002e-02 -7.736315698036833e-01 +1.156831381426176e-01 -4.427355341331349e-01 +3.748133675820811e-01 -2.834297298035381e+00 +1.214395310965943e+00 -7.687136229008502e+00 +3.934640807529656e+00 -6.347916983771938e+00 +1.274823621639609e+01 -3.104370905073665e+00 +4.130428534112331e+01 -2.287588681469060e+00 +1.338258845052396e+02 -2.936947914873315e+00 +#BASIS SET: (9s) -> [1s] +Ni s +1.101996057600000e-02 -5.342937946574580e-01 +3.570467226624002e-02 -8.126958414577530e-01 +1.156831381426176e-01 -3.781359335998786e-01 +3.748133675820811e-01 -2.741249878574308e+00 +1.214395310965943e+00 -7.595046046950301e+00 +3.934640807529656e+00 -7.534380752960715e+00 +1.274823621639609e+01 -2.847113774072568e+00 +4.130428534112331e+01 -2.428169025300122e+00 +1.338258845052396e+02 -3.128914952426896e+00 +#BASIS SET: (9s) -> [1s] +Cu s +1.101996057600000e-02 -4.878865767040566e-01 +3.570467226624002e-02 -8.487388143980752e-01 +1.156831381426176e-01 -3.111827052812259e-01 +3.748133675820811e-01 -2.675050384829774e+00 +1.214395310965943e+00 -7.408461911706581e+00 +3.934640807529656e+00 -8.719999801864105e+00 +1.274823621639609e+01 -2.718809528650127e+00 +4.130428534112331e+01 -2.481060096823057e+00 +1.338258845052396e+02 -3.348810179742998e+00 +#BASIS SET: (9s) -> [1s] +Zn s +1.101996057600000e-02 -4.455100559710559e-01 +3.570467226624002e-02 -8.818677213732826e-01 +1.156831381426176e-01 -2.439375825947536e-01 +3.748133675820811e-01 -2.629639536290597e+00 +1.214395310965943e+00 -7.153956188971279e+00 +3.934640807529656e+00 -9.864001531286704e+00 +1.274823621639609e+01 -2.743487141365222e+00 +4.130428534112331e+01 -2.440078520954557e+00 +1.338258845052396e+02 -3.597521721192550e+00 +#BASIS SET: (9s) -> [1s] +Ga s +1.101996057600000e-02 -7.281062532181295e-01 +3.570467226624002e-02 -3.766582039302193e-01 +1.156831381426176e-01 -1.175593878157997e+00 +3.748133675820811e-01 -2.124255112852552e+00 +1.214395310965943e+00 -6.787922937124677e+00 +3.934640807529656e+00 -1.040529632758262e+01 +1.274823621639609e+01 -3.394799310320195e+00 +4.130428534112331e+01 -2.055181467844704e+00 +1.338258845052396e+02 -3.952186508968907e+00 +#BASIS SET: (9s) -> [1s] +Ge s +1.101996057600000e-02 -5.098261749496942e-01 +3.570467226624002e-02 -8.369591238440535e-01 +1.156831381426176e-01 -1.012125597855629e+00 +3.748133675820811e-01 -2.755041509873990e+00 +1.214395310965943e+00 -5.770219823803927e+00 +3.934640807529656e+00 -1.114119177553403e+01 +1.274823621639609e+01 -3.932302526924104e+00 +4.130428534112331e+01 -1.764153060068566e+00 +1.338258845052396e+02 -4.278180407146010e+00 +#BASIS SET: (9s) -> [1s] +As s +1.101996057600000e-02 -3.308271341890645e-01 +3.570467226624002e-02 -1.082838121075838e+00 +1.156831381426176e-01 -9.766254114870208e-01 +3.748133675820811e-01 -3.402203737041418e+00 +1.214395310965943e+00 -5.006862204441859e+00 +3.934640807529656e+00 -1.146978757400393e+01 +1.274823621639609e+01 -4.730456405059158e+00 +4.130428534112331e+01 -1.366117516039594e+00 +1.338258845052396e+02 -4.634281896662117e+00 +#BASIS SET: (9s) -> [1s] +Se s +1.101996057600000e-02 -1.988726378360752e-01 +3.570467226624002e-02 -1.192998841853978e+00 +1.156831381426176e-01 -9.464482687312739e-01 +3.748133675820811e-01 -4.068323718514876e+00 +1.214395310965943e+00 -4.522436196581111e+00 +3.934640807529656e+00 -1.143485638251150e+01 +1.274823621639609e+01 -5.728563181641221e+00 +4.130428534112331e+01 -8.977482327163671e-01 +1.338258845052396e+02 -5.009752539613601e+00 +#BASIS SET: (9s) -> [1s] +Br s +3.570467226624002e-02 -1.553493042166679e+00 +1.156831381426176e-01 -3.798244900121972e-01 +3.748133675820811e-01 -5.314602601720253e+00 +1.214395310965943e+00 -3.545884809476775e+00 +3.934640807529656e+00 -1.233848582567771e+01 +1.274823621639609e+01 -4.677902942336004e+00 +4.130428534112331e+01 -3.934056337129732e+00 +1.338258845052396e+02 -1.420480991659133e+00 +4.335958657969762e+02 -1.835268959821519e+00 +#BASIS SET: (8s) -> [1s] +Kr s +3.570467226624002e-02 -1.317921014238323e+00 +1.156831381426176e-01 -6.766794663042219e-01 +3.748133675820811e-01 -5.303852936230214e+00 +1.214395310965943e+00 -4.489356506319382e+00 +3.934640807529656e+00 -1.043748366182990e+01 +1.274823621639609e+01 -8.126386754373925e+00 +4.130428534112331e+01 1.397321783797452e-01 +1.338258845052396e+02 -5.788051839083778e+00 +#BASIS SET: (11s) -> [1s] +Rb s +3.401222400000001e-03 -2.504193202544798e-01 +1.101996057600000e-02 -1.208592690117484e+00 +3.570467226624002e-02 1.091634311624603e+00 +1.156831381426176e-01 -2.754488482219131e+00 +3.748133675820811e-01 -4.202873700867713e+00 +1.214395310965943e+00 -4.808399043016834e+00 +3.934640807529656e+00 -1.067258831798790e+01 +1.274823621639609e+01 -7.261368023431714e+00 +4.130428534112331e+01 -2.953682649060283e+00 +1.338258845052396e+02 -2.081937414923232e+00 +4.335958657969762e+02 -1.897284669745829e+00 +#BASIS SET: (10s) -> [1s] +Sr s +1.101996057600000e-02 -1.577452834752023e+00 +3.570467226624002e-02 4.561733696880310e-01 +1.156831381426176e-01 -1.912450802044077e+00 +3.748133675820811e-01 -5.065939868174610e+00 +1.214395310965943e+00 -4.168264181107588e+00 +3.934640807529656e+00 -1.084785754477707e+01 +1.274823621639609e+01 -7.672402549480466e+00 +4.130428534112331e+01 -3.136126513421914e+00 +1.338258845052396e+02 -2.031415918037965e+00 +4.335958657969762e+02 -2.044263157892317e+00 +#BASIS SET: (10s) -> [1s] +Y s +1.101996057600000e-02 -1.275162707619415e+00 +3.570467226624002e-02 -1.816959455190954e-01 +1.156831381426176e-01 -1.433407765311131e+00 +3.748133675820811e-01 -5.687324531003469e+00 +1.214395310965943e+00 -4.271768701539258e+00 +3.934640807529656e+00 -1.026564069265078e+01 +1.274823621639609e+01 -8.580928016523103e+00 +4.130428534112331e+01 -3.013824157320414e+00 +1.338258845052396e+02 -2.146802596742418e+00 +4.335958657969762e+02 -2.143444885770919e+00 +#BASIS SET: (10s) -> [1s] +Zr s +1.101996057600000e-02 -1.086296426874185e+00 +3.570467226624002e-02 -4.632502151494009e-01 +1.156831381426176e-01 -1.228741456146963e+00 +3.748133675820811e-01 -6.051510990650058e+00 +1.214395310965943e+00 -4.793177951856705e+00 +3.934640807529656e+00 -9.433098493547732e+00 +1.274823621639609e+01 -9.544182912759425e+00 +4.130428534112331e+01 -2.897080782828198e+00 +1.338258845052396e+02 -2.257227079171571e+00 +4.335958657969762e+02 -2.245433691015762e+00 +#BASIS SET: (10s) -> [1s] +Nb s +1.101996057600000e-02 -9.549962234876830e-01 +3.570467226624002e-02 -6.114752375697208e-01 +1.156831381426176e-01 -1.080150048569521e+00 +3.748133675820811e-01 -6.282462507866512e+00 +1.214395310965943e+00 -5.550536230546641e+00 +3.934640807529656e+00 -8.549930331246287e+00 +1.274823621639609e+01 -1.041164400663911e+01 +4.130428534112331e+01 -2.881307524250587e+00 +1.338258845052396e+02 -2.312857195325705e+00 +4.335958657969762e+02 -2.364640694498235e+00 +#BASIS SET: (10s) -> [1s] +Mo s +1.101996057600000e-02 -8.705470605706296e-01 +3.570467226624002e-02 -3.715480718210529e-01 +1.156831381426176e-01 -1.070670964341844e+00 +3.748133675820811e-01 -6.316683479770290e+00 +1.214395310965943e+00 -7.044091390960602e+00 +3.934640807529656e+00 -7.189471408644749e+00 +1.274823621639609e+01 -1.147341526615128e+01 +4.130428534112331e+01 -2.774131512758686e+00 +1.338258845052396e+02 -2.420957004569573e+00 +4.335958657969762e+02 -2.468483840411295e+00 +#BASIS SET: (10s) -> [1s] +Tc s +1.101996057600000e-02 -8.070510243316562e-01 +3.570467226624002e-02 -3.935122319503535e-01 +1.156831381426176e-01 -9.858817121994434e-01 +3.748133675820811e-01 -6.220273413044197e+00 +1.214395310965943e+00 -8.195013154108892e+00 +3.934640807529656e+00 -6.376542639478430e+00 +1.274823621639609e+01 -1.203694774223550e+01 +4.130428534112331e+01 -3.009593283295544e+00 +1.338258845052396e+02 -2.348497147189846e+00 +4.335958657969762e+02 -2.626687652166140e+00 +#BASIS SET: (10s) -> [1s] +Ru s +1.101996057600000e-02 -7.587195178709862e-01 +3.570467226624002e-02 -3.962608181914220e-01 +1.156831381426176e-01 -9.206573222772931e-01 +3.748133675820811e-01 -6.015383134119475e+00 +1.214395310965943e+00 -9.390669960057494e+00 +3.934640807529656e+00 -5.731644519390102e+00 +1.274823621639609e+01 -1.237761460704860e+01 +4.130428534112331e+01 -3.402823497610370e+00 +1.338258845052396e+02 -2.197972631405719e+00 +4.335958657969762e+02 -2.808253992028540e+00 +#BASIS SET: (10s) -> [1s] +Rh s +1.101996057600000e-02 -7.202901578026513e-01 +3.570467226624002e-02 -3.894930743726945e-01 +1.156831381426176e-01 -8.713181244756925e-01 +3.748133675820811e-01 -5.726784390737521e+00 +1.214395310965943e+00 -1.057329623979604e+01 +3.934640807529656e+00 -5.300874571257737e+00 +1.274823621639609e+01 -1.247964563490314e+01 +4.130428534112331e+01 -3.954796456426266e+00 +1.338258845052396e+02 -1.970897083041564e+00 +4.335958657969762e+02 -3.012604267186703e+00 +#BASIS SET: (9s) -> [1s] +Pd s +3.570467226624002e-02 -1.539303948412567e+00 +1.156831381426176e-01 4.013926408979387e-01 +3.748133675820811e-01 -6.188137512473986e+00 +1.214395310965943e+00 -1.170132271807051e+01 +3.934640807529656e+00 -5.069574782697600e+00 +1.274823621639609e+01 -1.230879728919172e+01 +4.130428534112331e+01 -4.703824445117789e+00 +1.338258845052396e+02 -1.644448588336672e+00 +4.335958657969762e+02 -3.245983356597094e+00 +#BASIS SET: (10s) -> [1s] +Ag s +1.101996057600000e-02 -6.613709545250686e-01 +3.570467226624002e-02 -3.665192246908191e-01 +1.156831381426176e-01 -8.073833307344103e-01 +3.748133675820811e-01 -4.996278313141374e+00 +1.214395310965943e+00 -1.271399362476041e+01 +3.934640807529656e+00 -5.193859693994455e+00 +1.274823621639609e+01 -1.196677733214528e+01 +4.130428534112331e+01 -5.498459465434280e+00 +1.338258845052396e+02 -1.313890230478137e+00 +4.335958657969762e+02 -3.481467830095767e+00 +#BASIS SET: (10s) -> [1s] +Cd s +1.101996057600000e-02 -5.439069591233192e-01 +3.570467226624002e-02 -8.426962990138236e-01 +1.156831381426176e-01 -5.262907823826026e-01 +3.748133675820811e-01 -5.017762638606655e+00 +1.214395310965943e+00 -1.267885015160027e+01 +3.934640807529656e+00 -6.088075107301847e+00 +1.274823621639609e+01 -1.110616210386070e+01 +4.130428534112331e+01 -6.607746933514136e+00 +1.338258845052396e+02 -8.239566403080971e-01 +4.335958657969762e+02 -3.764552384288550e+00 +#BASIS SET: (10s) -> [1s] +In s +1.101996057600000e-02 -8.750121428258808e-01 +3.570467226624002e-02 -2.873398932570126e-01 +1.156831381426176e-01 -1.561697608748545e+00 +3.748133675820811e-01 -3.978983558154141e+00 +1.214395310965943e+00 -1.316140514215112e+01 +3.934640807529656e+00 -6.621431820862199e+00 +1.274823621639609e+01 -1.057130022739148e+01 +4.130428534112331e+01 -7.441021599901433e+00 +1.338258845052396e+02 -5.038670066569466e-01 +4.335958657969762e+02 -3.997941000051242e+00 +#BASIS SET: (10s) -> [1s] +Sn s +1.101996057600000e-02 -6.777299494068529e-01 +3.570467226624002e-02 -7.814285230065252e-01 +1.156831381426176e-01 -1.442867727786506e+00 +3.748133675820811e-01 -4.186744752498271e+00 +1.214395310965943e+00 -1.261133154052914e+01 +3.934640807529656e+00 -7.851553931257513e+00 +1.274823621639609e+01 -9.584023444764171e+00 +4.130428534112331e+01 -8.545558543322841e+00 +1.338258845052396e+02 -4.554000094867661e-02 +4.335958657969762e+02 -4.273221586479508e+00 +#BASIS SET: (10s) -> [1s] +Sb s +1.101996057600000e-02 -4.955954983879565e-01 +3.570467226624002e-02 -1.081705786260500e+00 +1.156831381426176e-01 -1.501069304098564e+00 +3.748133675820811e-01 -4.444615006927052e+00 +1.214395310965943e+00 -1.204736698146917e+01 +3.934640807529656e+00 -8.976915050039679e+00 +1.274823621639609e+01 -8.747454347398161e+00 +4.130428534112331e+01 -9.502099229328451e+00 +1.338258845052396e+02 3.188694337641209e-01 +4.335958657969762e+02 -4.522048229854590e+00 +#BASIS SET: (10s) -> [1s] +Te s +1.101996057600000e-02 -3.521112590902931e-01 +3.570467226624002e-02 -1.233327912297227e+00 +1.156831381426176e-01 -1.599502227272751e+00 +3.748133675820811e-01 -4.833321660406000e+00 +1.214395310965943e+00 -1.145016395586026e+01 +3.934640807529656e+00 -1.001613109018581e+01 +1.274823621639609e+01 -8.036864664158202e+00 +4.130428534112331e+01 -1.033402897704218e+01 +1.338258845052396e+02 6.047043958769791e-01 +4.335958657969762e+02 -4.749252649564255e+00 +#BASIS SET: (10s) -> [1s] +I s +1.101996057600000e-02 -2.410921094550531e-01 +3.570467226624002e-02 -1.299131954914174e+00 +1.156831381426176e-01 -1.656145359675065e+00 +3.748133675820811e-01 -5.354653751739534e+00 +1.214395310965943e+00 -1.086487592464619e+01 +3.934640807529656e+00 -1.093616341750749e+01 +1.274823621639609e+01 -7.468918200804183e+00 +4.130428534112331e+01 -1.103464392598835e+01 +1.338258845052396e+02 8.102217255072901e-01 +4.335958657969762e+02 -4.954597080777262e+00 +#BASIS SET: (10s) -> [1s] +Xe s +1.101996057600000e-02 -1.546247631067672e-01 +3.570467226624002e-02 -1.318703530569564e+00 +1.156831381426176e-01 -1.645939271695170e+00 +3.748133675820811e-01 -5.960707474940136e+00 +1.214395310965943e+00 -1.036387017965535e+01 +3.934640807529656e+00 -1.168767565468806e+01 +1.274823621639609e+01 -7.072241816968017e+00 +4.130428534112331e+01 -1.158860205319797e+01 +1.338258845052396e+02 9.286870732757961e-01 +4.335958657969762e+02 -5.136322328454753e+00 +#BASIS SET: (11s) -> [1s] +Cs s +3.401222400000001e-03 -3.689136069148731e-01 +1.101996057600000e-02 -1.163506521713543e+00 +3.570467226624002e-02 1.267447952210205e+00 +1.156831381426176e-01 -4.519371141937881e+00 +3.748133675820811e-01 -3.706323477947080e+00 +1.214395310965943e+00 -1.169479990033506e+01 +3.934640807529656e+00 -1.121294805219804e+01 +1.274823621639609e+01 -7.571805166502600e+00 +4.130428534112331e+01 -1.150462433482608e+01 +1.338258845052396e+02 6.895449172207009e-01 +4.335958657969762e+02 -5.214700667055752e+00 +#BASIS SET: (11s) -> [1s] +Ba s +3.401222400000001e-03 -1.418108780563898e-01 +1.101996057600000e-02 -1.577736927398746e+00 +3.570467226624002e-02 6.964375078778176e-01 +1.156831381426176e-01 -3.592710944498322e+00 +3.748133675820811e-01 -4.852098822178959e+00 +1.214395310965943e+00 -1.027430654186901e+01 +3.934640807529656e+00 -1.281880705952790e+01 +1.274823621639609e+01 -6.525696987682750e+00 +4.130428534112331e+01 -1.248509864450534e+01 +1.338258845052396e+02 1.042131864098337e+00 +4.335958657969762e+02 -5.470302566258738e+00 +#BASIS SET: (10s) -> [1s] +La s +1.101996057600000e-02 -1.687430306146439e+00 +3.570467226624002e-02 5.614236491510383e-01 +1.156831381426176e-01 -3.526116956090846e+00 +3.748133675820811e-01 -5.472491146547327e+00 +1.214395310965943e+00 -9.648071087147400e+00 +3.934640807529656e+00 -1.350237764208578e+01 +1.274823621639609e+01 -6.292908170009468e+00 +4.130428534112331e+01 -1.285295812655750e+01 +1.338258845052396e+02 1.044928678598808e+00 +4.335958657969762e+02 -5.623998893165094e+00 +#BASIS SET: (10s) -> [1s] +Ce s +1.101996057600000e-02 -1.626825552599257e+00 +3.570467226624002e-02 4.545406947927404e-01 +1.156831381426176e-01 -3.234329510351017e+00 +3.748133675820811e-01 -5.716701333334640e+00 +1.214395310965943e+00 -9.612324414309114e+00 +3.934640807529656e+00 -1.436191187291115e+01 +1.274823621639609e+01 -5.941091001313907e+00 +4.130428534112331e+01 -1.325019730870554e+01 +1.338258845052396e+02 1.077045610627465e+00 +4.335958657969762e+02 -5.788205311895581e+00 +#BASIS SET: (11s) -> [1s] +Pr s +3.401222400000001e-03 -1.035312970490736e-01 +1.101996057600000e-02 -1.485668482680921e+00 +3.570467226624002e-02 4.651056548700581e-01 +1.156831381426176e-01 -2.816789752245313e+00 +3.748133675820811e-01 -5.622807523643132e+00 +1.214395310965943e+00 -1.001926420751988e+01 +3.934640807529656e+00 -1.544663597861290e+01 +1.274823621639609e+01 -5.462093700683909e+00 +4.130428534112331e+01 -1.368830873761908e+01 +1.338258845052396e+02 1.144461026644422e+00 +4.335958657969762e+02 -5.964467001460264e+00 +#BASIS SET: (10s) -> [1s] +Nd s +1.101996057600000e-02 -1.748028961721502e+00 +3.570467226624002e-02 8.176137157338417e-01 +1.156831381426176e-01 -3.019403733703257e+00 +3.748133675820811e-01 -5.380254381609120e+00 +1.214395310965943e+00 -1.026555993210059e+01 +3.934640807529656e+00 -1.608503664765158e+01 +1.274823621639609e+01 -5.456111495102959e+00 +4.130428534112331e+01 -1.379654540756746e+01 +1.338258845052396e+02 1.020459760016820e+00 +4.335958657969762e+02 -6.087132916294195e+00 +#BASIS SET: (10s) -> [1s] +Pm s +1.101996057600000e-02 -1.695896013151810e+00 +3.570467226624002e-02 7.188043852347619e-01 +1.156831381426176e-01 -2.775010092522280e+00 +3.748133675820811e-01 -5.511723125006029e+00 +1.214395310965943e+00 -1.015986874360169e+01 +3.934640807529656e+00 -1.698825362270145e+01 +1.274823621639609e+01 -5.325792018233187e+00 +4.130428534112331e+01 -1.397936350092277e+01 +1.338258845052396e+02 9.433194548328174e-01 +4.335958657969762e+02 -6.226216723928360e+00 +#BASIS SET: (10s) -> [1s] +Sm s +1.101996057600000e-02 -1.646353387717227e+00 +3.570467226624002e-02 6.251293035797971e-01 +1.156831381426176e-01 -2.547892943308398e+00 +3.748133675820811e-01 -5.613783292476000e+00 +1.214395310965943e+00 -1.004340764757217e+01 +3.934640807529656e+00 -1.786944714816855e+01 +1.274823621639609e+01 -5.290717873074755e+00 +4.130428534112331e+01 -1.408609323476048e+01 +1.338258845052396e+02 8.296732675789826e-01 +4.335958657969762e+02 -6.357107044081204e+00 +#BASIS SET: (10s) -> [1s] +Eu s +1.101996057600000e-02 -1.599002684876723e+00 +3.570467226624002e-02 5.360636609748326e-01 +1.156831381426176e-01 -2.336578953770186e+00 +3.748133675820811e-01 -5.692125711237168e+00 +1.214395310965943e+00 -9.916654229185951e+00 +3.934640807529656e+00 -1.871988981787581e+01 +1.274823621639609e+01 -5.353555256289837e+00 +4.130428534112331e+01 -1.411989728769186e+01 +1.338258845052396e+02 6.823581202024798e-01 +4.335958657969762e+02 -6.480717840249781e+00 +#BASIS SET: (10s) -> [1s] +Gd s +1.101996057600000e-02 -1.553585253191613e+00 +3.570467226624002e-02 4.512853237688432e-01 +1.156831381426176e-01 -2.139872315723551e+00 +3.748133675820811e-01 -5.750771671362600e+00 +1.214395310965943e+00 -9.781287992755097e+00 +3.934640807529656e+00 -1.953213511930880e+01 +1.274823621639609e+01 -5.515270705021976e+00 +4.130428534112331e+01 -1.408495789282097e+01 +1.338258845052396e+02 5.046490246422763e-01 +4.335958657969762e+02 -6.598053398226511e+00 +#BASIS SET: (10s) -> [1s] +Tb s +1.101996057600000e-02 -1.509895048083649e+00 +3.570467226624002e-02 3.705349594838481e-01 +1.156831381426176e-01 -1.956736576567891e+00 +3.748133675820811e-01 -5.792661590161515e+00 +1.214395310965943e+00 -9.639535134472681e+00 +3.934640807529656e+00 -2.030006827559555e+01 +1.274823621639609e+01 -5.775255732372898e+00 +4.130428534112331e+01 -1.398638941113313e+01 +1.338258845052396e+02 3.002626797151606e-01 +4.335958657969762e+02 -6.710255870811693e+00 +#BASIS SET: (11s) -> [1s] +Dy s +1.101996057600000e-02 -1.470954145462770e+00 +3.570467226624002e-02 3.103682939358805e-01 +1.156831381426176e-01 -1.837326500964082e+00 +3.748133675820811e-01 -5.692982175170982e+00 +1.214395310965943e+00 -9.786062233728444e+00 +3.934640807529656e+00 -2.036991933805621e+01 +1.274823621639609e+01 -7.526488408198929e+00 +4.130428534112331e+01 -1.101858407088002e+01 +1.338258845052396e+02 -4.742669167684653e+00 +4.335958657969762e+02 -1.295664948593185e+00 +1.404850605182203e+03 -2.569717305196605e+00 +#BASIS SET: (11s) -> [1s] +Ho s +1.101996057600000e-02 -1.430481454209598e+00 +3.570467226624002e-02 2.381359356108987e-01 +1.156831381426176e-01 -1.681892217826316e+00 +3.748133675820811e-01 -5.699683691043901e+00 +1.214395310965943e+00 -9.656367896732263e+00 +3.934640807529656e+00 -2.099680309884207e+01 +1.274823621639609e+01 -8.060138916989672e+00 +4.130428534112331e+01 -1.064114798051742e+01 +1.338258845052396e+02 -5.278929038748174e+00 +4.335958657969762e+02 -1.067850532599550e+00 +1.404850605182203e+03 -2.724841108101941e+00 +#BASIS SET: (11s) -> [1s] +Er s +1.101996057600000e-02 -1.391365436339697e+00 +3.570467226624002e-02 1.694617653329260e-01 +1.156831381426176e-01 -1.537784114836541e+00 +3.748133675820811e-01 -5.694540751415843e+00 +1.214395310965943e+00 -9.527689368107531e+00 +3.934640807529656e+00 -2.156748881464955e+01 +1.274823621639609e+01 -8.684890048905800e+00 +4.130428534112331e+01 -1.021501310176245e+01 +1.338258845052396e+02 -5.836508477084863e+00 +4.335958657969762e+02 -8.303956341369485e-01 +1.404850605182203e+03 -2.883786018093701e+00 +#BASIS SET: (11s) -> [1s] +Tm s +1.101996057600000e-02 -1.353499736050253e+00 +3.570467226624002e-02 1.041819967867923e-01 +1.156831381426176e-01 -1.404342995812840e+00 +3.748133675820811e-01 -5.678654167850254e+00 +1.214395310965943e+00 -9.401853666327952e+00 +3.934640807529656e+00 -2.208072915768935e+01 +1.274823621639609e+01 -9.395253200433217e+00 +4.130428534112331e+01 -9.748398294337676e+00 +1.338258845052396e+02 -6.409193942206912e+00 +4.335958657969762e+02 -5.866622187713801e-01 +1.404850605182203e+03 -3.045594617306961e+00 +#BASIS SET: (11s) -> [1s] +Yb s +1.101996057600000e-02 -1.316812422787280e+00 +3.570467226624002e-02 4.217379414967581e-02 +1.156831381426176e-01 -1.280990837627542e+00 +3.748133675820811e-01 -5.652932337383390e+00 +1.214395310965943e+00 -9.280400581144931e+00 +3.934640807529656e+00 -2.253616368548683e+01 +1.274823621639609e+01 -1.018511546437367e+01 +4.130428534112331e+01 -9.249662397764041e+00 +1.338258845052396e+02 -6.990817738798796e+00 +4.335958657969762e+02 -3.399935247107351e-01 +1.404850605182203e+03 -3.209284804072468e+00 +#BASIS SET: (11s) -> [1s] +Lu s +1.101996057600000e-02 -1.069932144211180e+00 +3.570467226624002e-02 -5.191249385102310e-01 +1.156831381426176e-01 -1.030964569363277e+00 +3.748133675820811e-01 -5.995182032298544e+00 +1.214395310965943e+00 -8.744974709501548e+00 +3.934640807529656e+00 -2.270600347491199e+01 +1.274823621639609e+01 -1.120299804269598e+01 +4.130428534112331e+01 -8.652102721105621e+00 +1.338258845052396e+02 -7.629819505367777e+00 +4.335958657969762e+02 -6.709056414911174e-02 +1.404850605182203e+03 -3.381807297884734e+00 +#BASIS SET: (11s) -> [1s] +Hf s +1.101996057600000e-02 -8.809652575995415e-01 +3.570467226624002e-02 -8.194270331277949e-01 +1.156831381426176e-01 -9.338161668874818e-01 +3.748133675820811e-01 -6.342317316501067e+00 +1.214395310965943e+00 -8.467217177036218e+00 +3.934640807529656e+00 -2.251118681024309e+01 +1.274823621639609e+01 -1.244030249877687e+01 +4.130428534112331e+01 -7.948146505128534e+00 +1.338258845052396e+02 -8.327646563717281e+00 +4.335958657969762e+02 2.347642616950907e-01 +1.404850605182203e+03 -3.563738932677211e+00 +#BASIS SET: (11s) -> [1s] +Ta s +1.101996057600000e-02 -7.480614997783732e-01 +3.570467226624002e-02 -9.724022049826999e-01 +1.156831381426176e-01 -8.836805286846356e-01 +3.748133675820811e-01 -6.676897979788919e+00 +1.214395310965943e+00 -8.405188564422133e+00 +3.934640807529656e+00 -2.206672244064612e+01 +1.274823621639609e+01 -1.378780035771342e+01 +4.130428534112331e+01 -7.220421855206951e+00 +1.338258845052396e+02 -9.027040697168559e+00 +4.335958657969762e+02 5.340960631801863e-01 +1.404850605182203e+03 -3.745879934788377e+00 +#BASIS SET: (11s) -> [1s] +W s +1.101996057600000e-02 -6.480052983686164e-01 +3.570467226624002e-02 -1.058005732865695e+00 +1.156831381426176e-01 -8.221443561615160e-01 +3.748133675820811e-01 -6.991270089272803e+00 +1.214395310965943e+00 -8.539006830742437e+00 +3.934640807529656e+00 -2.143742400467454e+01 +1.274823621639609e+01 -1.518333921405429e+01 +4.130428534112331e+01 -6.514207687541784e+00 +1.338258845052396e+02 -9.697575414436869e+00 +4.335958657969762e+02 8.143905657416326e-01 +1.404850605182203e+03 -3.923411937623086e+00 +#BASIS SET: (11s) -> [1s] +Re s +1.101996057600000e-02 -5.689377959296280e-01 +3.570467226624002e-02 -1.109487768378585e+00 +1.156831381426176e-01 -7.424953901736444e-01 +3.748133675820811e-01 -7.256255138372580e+00 +1.214395310965943e+00 -8.864842776929436e+00 +3.934640807529656e+00 -2.066509457765642e+01 +1.274823621639609e+01 -1.658711246502207e+01 +4.130428534112331e+01 -5.856644928404421e+00 +1.338258845052396e+02 -1.032191590128059e+01 +4.335958657969762e+02 1.066500899221865e+00 +1.404850605182203e+03 -4.093714157074487e+00 +#BASIS SET: (11s) -> [1s] +Os s +1.101996057600000e-02 -5.043574947954994e-01 +3.570467226624002e-02 -1.141462382965983e+00 +1.156831381426176e-01 -6.525740208653588e-01 +3.748133675820811e-01 -7.447139845422498e+00 +1.214395310965943e+00 -9.372547567661968e+00 +3.934640807529656e+00 -1.978991315038729e+01 +1.274823621639609e+01 -1.796385030558304e+01 +4.130428534112331e+01 -5.270645916978538e+00 +1.338258845052396e+02 -1.088587266290415e+01 +4.335958657969762e+02 1.283041482995031e+00 +1.404850605182203e+03 -4.254678135430709e+00 +#BASIS SET: (11s) -> [1s] +Ir s +1.101996057600000e-02 -4.504201929365763e-01 +3.570467226624002e-02 -1.160545918331081e+00 +1.156831381426176e-01 -5.626318987378909e-01 +3.748133675820811e-01 -7.548927749045106e+00 +1.214395310965943e+00 -1.004317022040050e+01 +3.934640807529656e+00 -1.885336633565748e+01 +1.274823621639609e+01 -1.928005578405282e+01 +4.130428534112331e+01 -4.777130516966281e+00 +1.338258845052396e+02 -1.137678460829193e+01 +4.335958657969762e+02 1.457513879344333e+00 +1.404850605182203e+03 -4.404480654924669e+00 +#BASIS SET: (11s) -> [1s] +Pt s +1.101996057600000e-02 -4.047188617863640e-01 +3.570467226624002e-02 -1.169792116928875e+00 +1.156831381426176e-01 -4.813868419478240e-01 +3.748133675820811e-01 -7.555771932793505e+00 +1.214395310965943e+00 -1.085111143866743e+01 +3.934640807529656e+00 -1.789698406376556e+01 +1.274823621639609e+01 -2.050467061428208e+01 +4.130428534112331e+01 -4.394662740247441e+00 +1.338258845052396e+02 -1.178370160287886e+01 +4.335958657969762e+02 1.584341007601324e+00 +1.404850605182203e+03 -4.541540794303387e+00 +#BASIS SET: (11s) -> [1s] +Au s +1.101996057600000e-02 -3.656234339307503e-01 +3.570467226624002e-02 -1.170745258283205e+00 +1.156831381426176e-01 -4.149523868654796e-01 +3.748133675820811e-01 -7.469021134624199e+00 +1.214395310965943e+00 -1.176690103750661e+01 +3.934640807529656e+00 -1.696051842512679e+01 +1.274823621639609e+01 -2.161017886915215e+01 +4.130428534112331e+01 -4.138691235864826e+00 +1.338258845052396e+02 -1.209791084626340e+01 +4.335958657969762e+02 1.659209577923320e+00 +1.404850605182203e+03 -4.664666950305900e+00 +#BASIS SET: (11s) -> [1s] +Hg s +1.101996057600000e-02 -3.319697397516848e-01 +3.570467226624002e-02 -1.164340129419088e+00 +1.156831381426176e-01 -3.669020762554283e-01 +3.748133675820811e-01 -7.295116706518456e+00 +1.214395310965943e+00 -1.275963488225898e+01 +3.934640807529656e+00 -1.608041244687047e+01 +1.274823621639609e+01 -2.257350224952097e+01 +4.130428534112331e+01 -4.020993661259126e+00 +1.338258845052396e+02 -1.231327667486767e+01 +4.335958657969762e+02 1.679218691591814e+00 +1.404850605182203e+03 -4.773070124869946e+00 +#BASIS SET: (11s) -> [1s] +Tl s +1.101996057600000e-02 -9.391094956503139e-01 +3.570467226624002e-02 -7.549026354445232e-02 +1.156831381426176e-01 -1.770614499691874e+00 +3.748133675820811e-01 -6.056762744050502e+00 +1.214395310965943e+00 -1.371022728382377e+01 +3.934640807529656e+00 -1.536322956836375e+01 +1.274823621639609e+01 -2.342156557178532e+01 +4.130428534112331e+01 -3.979084021877497e+00 +1.338258845052396e+02 -1.248519514530926e+01 +4.335958657969762e+02 1.679046993809607e+00 +1.404850605182203e+03 -4.877768399712863e+00 +#BASIS SET: (11s) -> [1s] +Pb s +1.101996057600000e-02 -7.660784806294032e-01 +3.570467226624002e-02 -6.361612111322756e-01 +1.156831381426176e-01 -1.450324845605792e+00 +3.748133675820811e-01 -6.411533922644594e+00 +1.214395310965943e+00 -1.339694690922261e+01 +3.934640807529656e+00 -1.559333600996615e+01 +1.274823621639609e+01 -2.350781408447074e+01 +4.130428534112331e+01 -4.525269603574998e+00 +1.338258845052396e+02 -1.224725893481809e+01 +4.335958657969762e+02 1.451904780169571e+00 +1.404850605182203e+03 -4.917180778104921e+00 +#BASIS SET: (11s) -> [1s] +Bi s +1.101996057600000e-02 -5.901964957763539e-01 +3.570467226624002e-02 -1.012017144887068e+00 +1.156831381426176e-01 -1.393654565243196e+00 +3.748133675820811e-01 -6.653098065929953e+00 +1.214395310965943e+00 -1.320724536962734e+01 +3.934640807529656e+00 -1.567904169251415e+01 +1.274823621639609e+01 -2.368872131579701e+01 +4.130428534112331e+01 -5.000678935473843e+00 +1.338258845052396e+02 -1.206574282486690e+01 +4.335958657969762e+02 1.259018887529237e+00 +1.404850605182203e+03 -4.968622477413419e+00 +#BASIS SET: (11s) -> [1s] +Po s +1.101996057600000e-02 -4.461705741799733e-01 +3.570467226624002e-02 -1.226515219120301e+00 +1.156831381426176e-01 -1.459746316048040e+00 +3.748133675820811e-01 -6.913442315119028e+00 +1.214395310965943e+00 -1.304722244933873e+01 +3.934640807529656e+00 -1.570575280663616e+01 +1.274823621639609e+01 -2.389107122900896e+01 +4.130428534112331e+01 -5.461948075702821e+00 +1.338258845052396e+02 -1.190068892881391e+01 +4.335958657969762e+02 1.078053762248601e+00 +1.404850605182203e+03 -5.025495848280684e+00 +#BASIS SET: (11s) -> [1s] +At s +1.101996057600000e-02 -3.319142792142884e-01 +3.570467226624002e-02 -1.338219835825839e+00 +1.156831381426176e-01 -1.546001861728655e+00 +3.748133675820811e-01 -7.250158841849043e+00 +1.214395310965943e+00 -1.289509681758136e+01 +3.934640807529656e+00 -1.569460162451287e+01 +1.274823621639609e+01 -2.409611955240689e+01 +4.130428534112331e+01 -5.922625682964281e+00 +1.338258845052396e+02 -1.174288966209861e+01 +4.335958657969762e+02 9.039422820205800e-01 +1.404850605182203e+03 -5.086314123838747e+00 +#BASIS SET: (11s) -> [1s] +Rn s +1.101996057600000e-02 -2.410477436739029e-01 +3.570467226624002e-02 -1.389207585677468e+00 +1.156831381426176e-01 -1.602541693599051e+00 +3.748133675820811e-01 -7.664696899446426e+00 +1.214395310965943e+00 -1.277205208705709e+01 +3.934640807529656e+00 -1.563243489823071e+01 +1.274823621639609e+01 -2.431307896216458e+01 +4.130428534112331e+01 -6.374523984479310e+00 +1.338258845052396e+02 -1.159851378439635e+01 +4.335958657969762e+02 7.401751070283353e-01 +1.404850605182203e+03 -5.152077468303446e+00 +#BASIS SET: (12s) -> [1s] +Fr s +3.401222400000001e-03 -3.344415533185838e-01 +1.101996057600000e-02 -1.132183289746081e+00 +3.570467226624002e-02 9.710974724948755e-01 +1.156831381426176e-01 -4.471801665717066e+00 +3.748133675820811e-01 -5.158446196612203e+00 +1.214395310965943e+00 -1.465164544352592e+01 +3.934640807529656e+00 -1.421642898902792e+01 +1.274823621639609e+01 -2.549746178198257e+01 +4.130428534112331e+01 -6.099186776315037e+00 +1.338258845052396e+02 -1.197189823292138e+01 +4.335958657969762e+02 8.685085664546932e-01 +1.404850605182203e+03 -5.306112109782816e+00 +#BASIS SET: (12s) -> [1s] +Ra s +3.401222400000001e-03 -1.315649065139723e-01 +1.101996057600000e-02 -1.543932907997259e+00 +3.570467226624002e-02 5.761216442369914e-01 +1.156831381426176e-01 -3.919544252521519e+00 +3.748133675820811e-01 -5.817211686386145e+00 +1.214395310965943e+00 -1.387244761739930e+01 +3.934640807529656e+00 -1.493532214588777e+01 +1.274823621639609e+01 -2.496688585876109e+01 +4.130428534112331e+01 -7.139111832453636e+00 +1.338258845052396e+02 -1.142367554686643e+01 +4.335958657969762e+02 4.838990927310078e-01 +1.404850605182203e+03 -5.310323982180876e+00 +#BASIS SET: (11s) -> [1s] +Ac s +1.101996057600000e-02 -1.612949207890551e+00 +3.570467226624002e-02 2.875696579994838e-01 +1.156831381426176e-01 -3.850385107683906e+00 +3.748133675820811e-01 -6.273620123050932e+00 +1.214395310965943e+00 -1.338295219927022e+01 +3.934640807529656e+00 -1.528738716329099e+01 +1.274823621639609e+01 -2.475820207079232e+01 +4.130428534112331e+01 -7.907422055606730e+00 +1.338258845052396e+02 -1.108142828789278e+01 +4.335958657969762e+02 2.185654941386019e-01 +1.404850605182203e+03 -5.351788936659659e+00 +#BASIS SET: (11s) -> [1s] +Th s +1.101996057600000e-02 -1.340951736685042e+00 +3.570467226624002e-02 -2.393048803050988e-01 +1.156831381426176e-01 -3.529602707698359e+00 +3.748133675820811e-01 -7.104910028880113e+00 +1.214395310965943e+00 -1.268593576900821e+01 +3.934640807529656e+00 -1.574545985114673e+01 +1.274823621639609e+01 -2.446097944011126e+01 +4.130428534112331e+01 -8.731657995856949e+00 +1.338258845052396e+02 -1.071011932310648e+01 +4.335958657969762e+02 -5.972213558197836e-02 +1.404850605182203e+03 -5.391356131619773e+00 +#BASIS SET: (11s) -> [1s] +Pa s +1.101996057600000e-02 -1.456630004521230e+00 +3.570467226624002e-02 7.991364074587182e-02 +1.156831381426176e-01 -3.364651102137941e+00 +3.748133675820811e-01 -6.956055683345767e+00 +1.214395310965943e+00 -1.406662872957531e+01 +3.934640807529656e+00 -1.507597878420347e+01 +1.274823621639609e+01 -2.466340438246698e+01 +4.130428534112331e+01 -9.272570451845240e+00 +1.338258845052396e+02 -1.054013338789082e+01 +4.335958657969762e+02 -2.145879455965769e-01 +1.404850605182203e+03 -5.469273169162534e+00 +#BASIS SET: (11s) -> [1s] +U s +1.101996057600000e-02 -1.400524624005357e+00 +3.570467226624002e-02 9.804661945054249e-03 +1.156831381426176e-01 -3.143661315139980e+00 +3.748133675820811e-01 -7.111773485728918e+00 +1.214395310965943e+00 -1.459513981374403e+01 +3.934640807529656e+00 -1.502302059243084e+01 +1.274823621639609e+01 -2.449983754930872e+01 +4.130428534112331e+01 -1.002731365152431e+01 +1.338258845052396e+02 -1.024022908545157e+01 +4.335958657969762e+02 -4.398080507926352e-01 +1.404850605182203e+03 -5.528496493818693e+00 +#BASIS SET: (11s) -> [1s] +Np s +1.101996057600000e-02 -1.350727981424711e+00 +3.570467226624002e-02 -5.297843554853898e-02 +1.156831381426176e-01 -2.941107167183873e+00 +3.748133675820811e-01 -7.174079033520684e+00 +1.214395310965943e+00 -1.517015216393702e+01 +3.934640807529656e+00 -1.505843635827478e+01 +1.274823621639609e+01 -2.423725593772542e+01 +4.130428534112331e+01 -1.083759261687374e+01 +1.338258845052396e+02 -9.917596511033480e+00 +4.335958657969762e+02 -6.723811534102424e-01 +1.404850605182203e+03 -5.587692641067520e+00 +#BASIS SET: (11s) -> [1s] +Pu s +1.101996057600000e-02 -1.497682724992501e+00 +3.570467226624002e-02 4.217429377431472e-01 +1.156831381426176e-01 -2.999711720693085e+00 +3.748133675820811e-01 -6.700515585907851e+00 +1.214395310965943e+00 -1.666190050942896e+01 +3.934640807529656e+00 -1.469507524657092e+01 +1.274823621639609e+01 -2.412591633803822e+01 +4.130428534112331e+01 -1.154342390553938e+01 +1.338258845052396e+02 -9.685129689511086e+00 +4.335958657969762e+02 -8.462462432980828e-01 +1.404850605182203e+03 -5.666140973763049e+00 +#BASIS SET: (11s) -> [1s] +Am s +1.101996057600000e-02 -1.456018829689242e+00 +3.570467226624002e-02 3.689326272724429e-01 +1.156831381426176e-01 -2.828044183412203e+00 +3.748133675820811e-01 -6.625384869090340e+00 +1.214395310965943e+00 -1.723144012736520e+01 +3.934640807529656e+00 -1.498698491109826e+01 +1.274823621639609e+01 -2.363346590583387e+01 +4.130428534112331e+01 -1.247352080488781e+01 +1.338258845052396e+02 -9.314383037126390e+00 +4.335958657969762e+02 -1.094936820227304e+00 +1.404850605182203e+03 -5.724753138541814e+00 +#BASIS SET: (12s) -> [1s] +Cm s +1.101996057600000e-02 -1.414201448773383e+00 +3.570467226624002e-02 3.084789292797723e-01 +1.156831381426176e-01 -2.644825172643323e+00 +3.748133675820811e-01 -6.575284056514647e+00 +1.214395310965943e+00 -1.761184274811239e+01 +3.934640807529656e+00 -1.573858791013481e+01 +1.274823621639609e+01 -2.231629489838087e+01 +4.130428534112331e+01 -1.500794440331811e+01 +1.338258845052396e+02 -5.782454764674185e+00 +4.335958657969762e+02 -6.741254356173158e+00 +1.404850605182203e+03 4.039208431349834e-01 +4.551715960790338e+03 -2.879710013689873e+00 +#BASIS SET: (12s) -> [1s] +Bk s +1.101996057600000e-02 -1.374997735203806e+00 +3.570467226624002e-02 2.568714361859747e-01 +1.156831381426176e-01 -2.499010885801908e+00 +3.748133675820811e-01 -6.436021721045108e+00 +1.214395310965943e+00 -1.807952451745950e+01 +3.934640807529656e+00 -1.630089069031237e+01 +1.274823621639609e+01 -2.160969037567702e+01 +4.130428534112331e+01 -1.608436485339189e+01 +1.338258845052396e+02 -5.238721150526544e+00 +4.335958657969762e+02 -7.266126806869579e+00 +1.404850605182203e+03 6.624189227004535e-01 +4.551715960790338e+03 -3.029941622598699e+00 +#BASIS SET: (12s) -> [1s] +Cf s +1.101996057600000e-02 -1.336753677858951e+00 +3.570467226624002e-02 2.061545388087325e-01 +1.156831381426176e-01 -2.364566796763029e+00 +3.748133675820811e-01 -6.278106242840295e+00 +1.214395310965943e+00 -1.848420842528139e+01 +3.934640807529656e+00 -1.698554094143765e+01 +1.274823621639609e+01 -2.083227860973420e+01 +4.130428534112331e+01 -1.717612297994492e+01 +1.338258845052396e+02 -4.702720720408252e+00 +4.335958657969762e+02 -7.781846828132984e+00 +1.404850605182203e+03 9.161477382003795e-01 +4.551715960790338e+03 -3.180157054607434e+00 +#BASIS SET: (12s) -> [1s] +Es s +1.101996057600000e-02 -1.299234483787359e+00 +3.570467226624002e-02 1.561062257696904e-01 +1.156831381426176e-01 -2.239654573997541e+00 +3.748133675820811e-01 -6.109661927112029e+00 +1.214395310965943e+00 -1.881955915298022e+01 +3.934640807529656e+00 -1.778621091851528e+01 +1.274823621639609e+01 -1.999736313931498e+01 +4.130428534112331e+01 -1.827090124317328e+01 +1.338258845052396e+02 -4.183499556267634e+00 +4.335958657969762e+02 -8.282479740002600e+00 +1.404850605182203e+03 1.162037536843854e+00 +4.551715960790338e+03 -3.329579027462614e+00 +#BASIS SET: (12s) -> [1s] +Fm s +1.101996057600000e-02 -1.262377444155163e+00 +3.570467226624002e-02 1.066793517275073e-01 +1.156831381426176e-01 -2.122687811497599e+00 +3.748133675820811e-01 -5.937219051844295e+00 +1.214395310965943e+00 -1.908188527008315e+01 +3.934640807529656e+00 -1.869477489919518e+01 +1.274823621639609e+01 -1.911883763079823e+01 +4.130428534112331e+01 -1.935647304497252e+01 +1.338258845052396e+02 -3.689919505035505e+00 +4.335958657969762e+02 -8.762171308953839e+00 +1.404850605182203e+03 1.396882752997044e+00 +4.551715960790338e+03 -3.477216138189078e+00 +#BASIS SET: (12s) -> [1s] +Md s +1.101996057600000e-02 -1.225977815492570e+00 +3.570467226624002e-02 5.757406645443552e-02 +1.156831381426176e-01 -2.011991700799626e+00 +3.748133675820811e-01 -5.766253448495263e+00 +1.214395310965943e+00 -1.926949030889955e+01 +3.934640807529656e+00 -1.970176823600195e+01 +1.274823621639609e+01 -1.821080947403243e+01 +4.130428534112331e+01 -2.042094155185623e+01 +1.338258845052396e+02 -3.230304226206499e+00 +4.335958657969762e+02 -9.215605103039707e+00 +1.404850605182203e+03 1.618007778924948e+00 +4.551715960790338e+03 -3.622439980555555e+00 +#BASIS SET: (12s) -> [1s] +No s +1.101996057600000e-02 -1.189981116457375e+00 +3.570467226624002e-02 8.694190717505990e-03 +1.156831381426176e-01 -1.906251845104634e+00 +3.748133675820811e-01 -5.600957235328679e+00 +1.214395310965943e+00 -1.938244025582389e+01 +3.934640807529656e+00 -2.079685662240809e+01 +1.274823621639609e+01 -1.728726925477531e+01 +4.130428534112331e+01 -2.145298588830337e+01 +1.338258845052396e+02 -2.812455201157718e+00 +4.335958657969762e+02 -9.637776504612702e+00 +1.404850605182203e+03 1.822738552349620e+00 +4.551715960790338e+03 -3.764458819095353e+00 +#BASIS SET: (13s) -> [1s] +Lr s +3.401222400000001e-03 -3.112419954163670e-02 +1.101996057600000e-02 -9.863077271429574e-01 +3.570467226624002e-02 -4.148078133275703e-01 +1.156831381426176e-01 -1.875786506428994e+00 +3.748133675820811e-01 -5.641049600515544e+00 +1.214395310965943e+00 -1.879124839480210e+01 +3.934640807529656e+00 -2.204164513160504e+01 +1.274823621639609e+01 -1.647751648398116e+01 +4.130428534112331e+01 -2.233275691942254e+01 +1.338258845052396e+02 -2.517900763370562e+00 +4.335958657969762e+02 -9.977223017660435e+00 +1.404850605182203e+03 1.982254175512935e+00 +4.551715960790338e+03 -3.894887617714403e+00 +#BASIS SET: (12s) -> [1s] +Rf s +1.101996057600000e-02 -8.421483470551721e-01 +3.570467226624002e-02 -7.402039800690545e-01 +1.156831381426176e-01 -1.759147022723482e+00 +3.748133675820811e-01 -6.020276717001252e+00 +1.214395310965943e+00 -1.806040074857447e+01 +3.934640807529656e+00 -2.320638688928011e+01 +1.274823621639609e+01 -1.580942145170411e+01 +4.130428534112331e+01 -2.307064744165109e+01 +1.338258845052396e+02 -2.338458961850847e+00 +4.335958657969762e+02 -1.023743107123300e+01 +1.404850605182203e+03 2.099016923937597e+00 +4.551715960790338e+03 -4.014494292795007e+00 +#BASIS SET: (12s) -> [1s] +Db s +1.101996057600000e-02 -6.672934580749370e-01 +3.570467226624002e-02 -1.002995069453391e+00 +1.156831381426176e-01 -1.630386069704400e+00 +3.748133675820811e-01 -6.503354578719154e+00 +1.214395310965943e+00 -1.737355796629708e+01 +3.934640807529656e+00 -2.419994176441833e+01 +1.274823621639609e+01 -1.533122725573776e+01 +4.130428534112331e+01 -2.363605328155973e+01 +1.338258845052396e+02 -2.295607726293383e+00 +4.335958657969762e+02 -1.040358353569900e+01 +1.404850605182203e+03 2.164802535051422e+00 +4.551715960790338e+03 -4.120801829094262e+00 +#BASIS SET: (12s) -> [1s] +Sg s +1.101996057600000e-02 -5.326529740100341e-01 +3.570467226624002e-02 -1.164283178692131e+00 +1.156831381426176e-01 -1.524121127260514e+00 +3.748133675820811e-01 -7.004284920276405e+00 +1.214395310965943e+00 -1.680677333487984e+01 +3.934640807529656e+00 -2.498669052222249e+01 +1.274823621639609e+01 -1.505713267475221e+01 +4.130428534112331e+01 -2.402302865991078e+01 +1.338258845052396e+02 -2.392069934780011e+00 +4.335958657969762e+02 -1.047424651443725e+01 +1.404850605182203e+03 2.179011313499359e+00 +4.551715960790338e+03 -4.213727472277697e+00 +#BASIS SET: (12s) -> [1s] +Bh s +1.101996057600000e-02 -4.248805971180900e-01 +3.570467226624002e-02 -1.269117640344120e+00 +1.156831381426176e-01 -1.408569823295693e+00 +3.748133675820811e-01 -7.508653212498757e+00 +1.214395310965943e+00 -1.637357244967279e+01 +3.934640807529656e+00 -2.557698784546665e+01 +1.274823621639609e+01 -1.496692615307984e+01 +4.130428534112331e+01 -2.425220745816478e+01 +1.338258845052396e+02 -2.610235796455527e+00 +4.335958657969762e+02 -1.046236436154140e+01 +1.404850605182203e+03 2.149102794617647e+00 +4.551715960790338e+03 -4.295587456980002e+00 +#BASIS SET: (12s) -> [1s] +Hs s +1.101996057600000e-02 -3.362756147828350e-01 +3.570467226624002e-02 -1.339817124416186e+00 +1.156831381426176e-01 -1.278594125671589e+00 +3.748133675820811e-01 -7.990510809304396e+00 +1.214395310965943e+00 -1.609170869966329e+01 +3.934640807529656e+00 -2.597600865505956e+01 +1.274823621639609e+01 -1.504626775603538e+01 +4.130428534112331e+01 -2.433888148058031e+01 +1.338258845052396e+02 -2.936934038225445e+00 +4.335958657969762e+02 -1.037757113947737e+01 +1.404850605182203e+03 2.080442271784705e+00 +4.551715960790338e+03 -4.367872828568352e+00 +#BASIS SET: (12s) -> [1s] +Mt s +1.101996057600000e-02 -2.620548037950812e-01 +3.570467226624002e-02 -1.387821610239371e+00 +1.156831381426176e-01 -1.139070805642405e+00 +3.748133675820811e-01 -8.424897136912477e+00 +1.214395310965943e+00 -1.597358052858181e+01 +3.934640807529656e+00 -2.619216654280171e+01 +1.274823621639609e+01 -1.527937823790126e+01 +4.130428534112331e+01 -2.429896760045085e+01 +1.338258845052396e+02 -3.358529122720938e+00 +4.335958657969762e+02 -1.022995612399973e+01 +1.404850605182203e+03 1.978978328719677e+00 +4.551715960790338e+03 -4.432555815674050e+00 +#BASIS SET: (12s) -> [1s] +Ds s +1.101996057600000e-02 -2.809441938331929e-01 +3.570467226624002e-02 -1.266608664957857e+00 +1.156831381426176e-01 -1.261690719813487e+00 +3.748133675820811e-01 -8.629800246733794e+00 +1.214395310965943e+00 -1.601875416991970e+01 +3.934640807529656e+00 -2.615627064156433e+01 +1.274823621639609e+01 -1.577199277106411e+01 +4.130428534112331e+01 -2.402554514615622e+01 +1.338258845052396e+02 -3.943868631220539e+00 +4.335958657969762e+02 -9.983140559583262e+00 +1.404850605182203e+03 1.826022659173759e+00 +4.551715960790338e+03 -4.487406914327266e+00 +#BASIS SET: (12s) -> [1s] +Rg s +1.101996057600000e-02 -2.211121510274552e-01 +3.570467226624002e-02 -1.309489126168955e+00 +1.156831381426176e-01 -1.093877900042571e+00 +3.748133675820811e-01 -8.965056291777728e+00 +1.214395310965943e+00 -1.615006218112103e+01 +3.934640807529656e+00 -2.614239732013812e+01 +1.274823621639609e+01 -1.618002956824057e+01 +4.130428534112331e+01 -2.384702319055214e+01 +1.338258845052396e+02 -4.463146929585491e+00 +4.335958657969762e+02 -9.776042977377074e+00 +1.404850605182203e+03 1.696583706674573e+00 +4.551715960790338e+03 -4.548346070643447e+00 +#BASIS SET: (11s) -> [1s] +Cn s +3.570467226624002e-02 -1.860774658848186e+00 +1.156831381426176e-01 -1.864809821981908e-01 +3.748133675820811e-01 -9.983270998825901e+00 +1.214395310965943e+00 -1.575685131854698e+01 +3.934640807529656e+00 -2.656444470918359e+01 +1.274823621639609e+01 -1.621960929292254e+01 +4.130428534112331e+01 -2.396651119551098e+01 +1.338258845052396e+02 -4.746294793993002e+00 +4.335958657969762e+02 -9.741345037182327e+00 +1.404850605182203e+03 1.666206935711671e+00 +4.551715960790338e+03 -4.640623948499979e+00 +#BASIS SET: (13s) -> [1s] +Nh s +3.401222400000001e-03 -2.852269585271188e-01 +1.101996057600000e-02 -4.682300618169393e-01 +3.570467226624002e-02 -1.691469308789237e-01 +1.156831381426176e-01 -2.361139775584888e+00 +3.748133675820811e-01 -8.144721728480363e+00 +1.214395310965943e+00 -1.710489609801880e+01 +3.934640807529656e+00 -2.573009298352554e+01 +1.274823621639609e+01 -1.727157860083389e+01 +4.130428534112331e+01 -2.326947401172947e+01 +1.338258845052396e+02 -5.658957716106670e+00 +4.335958657969762e+02 -9.264505412007566e+00 +1.404850605182203e+03 1.391058577326476e+00 +4.551715960790338e+03 -4.663088299816309e+00 +#BASIS SET: (13s) -> [1s] +Fl s +3.401222400000001e-03 -1.404727042951208e-01 +1.101996057600000e-02 -7.910254256744338e-01 +3.570467226624002e-02 -1.759674444747361e-01 +1.156831381426176e-01 -2.260723272298492e+00 +3.748133675820811e-01 -8.457037430707715e+00 +1.214395310965943e+00 -1.669656726998073e+01 +3.934640807529656e+00 -2.624269413138973e+01 +1.274823621639609e+01 -1.726821790047688e+01 +4.130428534112331e+01 -2.340329355298309e+01 +1.338258845052396e+02 -5.927532134170178e+00 +4.335958657969762e+02 -9.248078889882891e+00 +1.404850605182203e+03 1.376387385280395e+00 +4.551715960790338e+03 -4.764777228946400e+00 +#BASIS SET: (12s) -> [1s] +Mc s +1.101996057600000e-02 -1.040835557367927e+00 +3.570467226624002e-02 -1.352001964096416e-01 +1.156831381426176e-01 -2.378683568531414e+00 +3.748133675820811e-01 -8.585486922627751e+00 +1.214395310965943e+00 -1.649180072970194e+01 +3.934640807529656e+00 -2.651665369318653e+01 +1.274823621639609e+01 -1.748080153236515e+01 +4.130428534112331e+01 -2.335741389592295e+01 +1.338258845052396e+02 -6.331466639618156e+00 +4.335958657969762e+02 -9.140415006171679e+00 +1.404850605182203e+03 1.313743036742380e+00 +4.551715960790338e+03 -4.854985294839253e+00 +#BASIS SET: (12s) -> [1s] +Lv s +1.101996057600000e-02 -8.720738999163586e-01 +3.570467226624002e-02 -5.676552100994741e-01 +1.156831381426176e-01 -2.071939943343750e+00 +3.748133675820811e-01 -9.141255994822131e+00 +1.214395310965943e+00 -1.597463203020015e+01 +3.934640807529656e+00 -2.698712953124050e+01 +1.274823621639609e+01 -1.754808365895587e+01 +4.130428534112331e+01 -2.342415048621478e+01 +1.338258845052396e+02 -6.643657834269106e+00 +4.335958657969762e+02 -9.102501860412303e+00 +1.404850605182203e+03 1.292854795494350e+00 +4.551715960790338e+03 -4.959774346019913e+00 +#BASIS SET: (12s) -> [1s] +Ts s +1.101996057600000e-02 -7.264269470363161e-01 +3.570467226624002e-02 -8.804863645136720e-01 +1.156831381426176e-01 -1.884952882683137e+00 +3.748133675820811e-01 -9.644189020269550e+00 +1.214395310965943e+00 -1.555781824042788e+01 +3.934640807529656e+00 -2.732132845970773e+01 +1.274823621639609e+01 -1.773418111281353e+01 +4.130428534112331e+01 -2.339483552519232e+01 +1.338258845052396e+02 -7.024277561096824e+00 +4.335958657969762e+02 -9.021400868325145e+00 +1.404850605182203e+03 1.251227996719535e+00 +4.551715960790338e+03 -5.061331014653433e+00 +#BASIS SET: (12s) -> [1s] +Og s +1.101996057600000e-02 -6.025705524507430e-01 +3.570467226624002e-02 -1.107341991329122e+00 +1.156831381426176e-01 -1.756183689067257e+00 +3.748133675820811e-01 -1.013447759480550e+01 +1.214395310965943e+00 -1.521952780432912e+01 +3.934640807529656e+00 -2.754242302652710e+01 +1.274823621639609e+01 -1.801561821352516e+01 +4.130428534112331e+01 -2.329024785797810e+01 +1.338258845052396e+02 -7.456744394017733e+00 +4.335958657969762e+02 -8.908772473208955e+00 +1.404850605182203e+03 1.194957494662958e+00 +4.551715960790338e+03 -5.161049897424164e+00 diff --git a/pyscf/gto/basis/helfem_large.dat b/pyscf/gto/basis/helfem_large.dat new file mode 100644 index 0000000000..e483be0673 --- /dev/null +++ b/pyscf/gto/basis/helfem_large.dat @@ -0,0 +1,2102 @@ +BASIS "ao basis" PRINT +#BASIS SET: (4s) -> [1s] +H s +4.268788542106363e-02 -4.185582672035864e-01 +8.366825542528471e-02 -5.962131922279497e-01 +1.639897806335580e-01 1.524537907893517e+00 +3.214199700417737e-01 -1.509766448461981e+00 +#BASIS SET: (5s) -> [1s] +He s +8.366825542528471e-02 -1.355205479616188e+00 +1.639897806335580e-01 2.055414703345832e+00 +3.214199700417737e-01 -3.585641909762671e+00 +6.299831412818762e-01 3.577647758042076e+00 +1.234766956912478e+00 -2.692215072009049e+00 +#BASIS SET: (9s) -> [1s] +Li s +1.111200682555800e-02 -7.812202443437855e-01 +2.177953337809369e-02 7.878101197566139e-01 +4.268788542106363e-02 -1.834061208952335e+00 +8.366825542528471e-02 3.144340503349667e+00 +1.639897806335580e-01 -5.862783425312955e+00 +3.214199700417737e-01 7.556086712982506e+00 +6.299831412818762e-01 -9.186191175249405e+00 +1.234766956912478e+00 7.028106110417866e+00 +2.420143235548455e+00 -3.852087392648173e+00 +#BASIS SET: (9s) -> [1s] +Be s +2.177953337809369e-02 -1.684101067949086e+00 +4.268788542106363e-02 2.010666946873243e+00 +8.366825542528471e-02 -3.766492405644385e+00 +1.639897806335580e-01 5.218894453777466e+00 +3.214199700417737e-01 -8.457585407944862e+00 +6.299831412818762e-01 1.028838749043643e+01 +1.234766956912478e+00 -1.126269935470191e+01 +2.420143235548455e+00 7.400723657789058e+00 +4.743480741674971e+00 -3.747794312635961e+00 +#BASIS SET: (11s) -> [1s] +B s +1.111200682555800e-02 -1.000032957054088e+00 +2.177953337809369e-02 1.724570476113513e+00 +4.268788542106363e-02 -3.396693199352740e+00 +8.366825542528471e-02 3.536343834137369e+00 +1.639897806335580e-01 -5.306160429419833e+00 +3.214199700417737e-01 5.143829342290701e+00 +6.299831412818762e-01 -7.905614915624028e+00 +1.234766956912478e+00 9.050180592370452e+00 +2.420143235548455e+00 -9.910984211092000e+00 +4.743480741674971e+00 6.274732118628890e+00 +9.297222253682943e+00 -3.210170650998236e+00 +#BASIS SET: (9s) -> [1s] +C s +4.268788542106363e-02 -1.261992879455647e+00 +8.366825542528471e-02 1.856334428972332e+00 +1.639897806335580e-01 -3.633981649269117e+00 +3.214199700417737e-01 3.953077307669446e+00 +6.299831412818762e-01 -8.253920026065316e+00 +1.234766956912478e+00 7.178058194345795e+00 +2.420143235548455e+00 -8.611687745898962e+00 +4.743480741674971e+00 6.945998759241775e+00 +9.297222253682943e+00 -4.171886389540305e+00 +#BASIS SET: (9s) -> [1s] +N s +4.268788542106363e-02 -1.052755375898414e+00 +8.366825542528471e-02 8.940734185162000e-01 +1.639897806335580e-01 -2.897407143755117e+00 +3.214199700417737e-01 3.934491195715964e+00 +6.299831412818762e-01 -8.398524643387645e+00 +1.234766956912478e+00 7.506884912494570e+00 +2.420143235548455e+00 -1.011875403433805e+01 +4.743480741674971e+00 8.213310290622758e+00 +9.297222253682943e+00 -5.081318619970261e+00 +#BASIS SET: (11s) -> [1s] +O s +2.177953337809369e-02 -1.303093470731824e+00 +4.268788542106363e-02 2.680316414385743e+00 +8.366825542528471e-02 -4.956605911003862e+00 +1.639897806335580e-01 5.393036064349872e+00 +3.214199700417737e-01 -7.334251391635917e+00 +6.299831412818762e-01 6.169044227252016e+00 +1.234766956912478e+00 -1.038518856556038e+01 +2.420143235548455e+00 8.253574505710276e+00 +4.743480741674971e+00 -8.779265644843690e+00 +9.297222253682943e+00 5.973193470417755e+00 +1.822255561721856e+01 -3.710759698339984e+00 +#BASIS SET: (10s) -> [1s] +F s +4.268788542106363e-02 -8.534547253765368e-01 +8.366825542528471e-02 4.317019303168763e-01 +1.639897806335580e-01 -1.113489109611692e+00 +3.214199700417737e-01 -3.972697870995034e-01 +6.299831412818762e-01 7.449690638532047e-02 +1.234766956912478e+00 -5.779926691142464e+00 +2.420143235548455e+00 4.125841244924231e+00 +4.743480741674971e+00 -7.521000012122386e+00 +9.297222253682943e+00 6.513433162788715e+00 +1.822255561721856e+01 -4.480332919062562e+00 +#BASIS SET: (9s) -> [1s] +Ne s +8.366825542528471e-02 -1.902350849093636e+00 +1.639897806335580e-01 2.783781029778766e+00 +3.214199700417737e-01 -5.499603264208417e+00 +6.299831412818762e-01 6.158487736014649e+00 +1.234766956912478e+00 -1.169101849943399e+01 +2.420143235548455e+00 8.699803143157624e+00 +4.743480741674971e+00 -1.270734070229810e+01 +9.297222253682943e+00 1.011627001053421e+01 +1.822255561721856e+01 -5.958028604451101e+00 +#BASIS SET: (12s) -> [1s] +Na s +1.111200682555800e-02 -9.168342651105377e-01 +2.177953337809369e-02 7.158732077805325e-01 +4.268788542106363e-02 -7.548534333291173e-01 +8.366825542528471e-02 -1.175181805956527e-01 +1.639897806335580e-01 3.194724798959214e-02 +3.214199700417737e-01 -2.168022868048865e+00 +6.299831412818762e-01 1.898600546119269e+00 +1.234766956912478e+00 -6.903178811480757e+00 +2.420143235548455e+00 6.636541098385351e+00 +4.743480741674971e+00 -1.448740461794659e+01 +9.297222253682943e+00 1.212093662630650e+01 +1.822255561721856e+01 -7.056086550069722e+00 +#BASIS SET: (12s) -> [1s] +Mg s +2.177953337809369e-02 -2.944302301131529e+00 +4.268788542106363e-02 4.613997280459444e+00 +8.366825542528471e-02 -6.272272958543908e+00 +1.639897806335580e-01 5.516111563774757e+00 +3.214199700417737e-01 -4.967518429970369e+00 +6.299831412818762e-01 1.552244046761189e+00 +1.234766956912478e+00 -3.974227231810801e+00 +2.420143235548455e+00 8.404480060562491e-02 +4.743480741674971e+00 -2.366611175879370e+00 +9.297222253682943e+00 -4.010052213154268e+00 +1.822255561721856e+01 4.803185159398708e+00 +3.571620900974838e+01 -4.034598540509478e+00 +#BASIS SET: (14s) -> [1s] +Al s +5.669391237529597e-03 -5.909439250651047e-01 +1.111200682555800e-02 5.722753595107974e-01 +2.177953337809369e-02 -1.344342008787180e+00 +4.268788542106363e-02 5.877102622503116e-01 +8.366825542528471e-02 -1.546703855934538e+00 +1.639897806335580e-01 -1.306685495728743e-02 +3.214199700417737e-01 -1.015387811588880e+00 +6.299831412818762e-01 3.357770781040017e-01 +1.234766956912478e+00 -3.547210661658028e+00 +2.420143235548455e+00 -1.474410769107635e+00 +4.743480741674971e+00 1.240931189822732e+00 +9.297222253682943e+00 -8.963330198399490e+00 +1.822255561721856e+01 8.010281154656695e+00 +3.571620900974838e+01 -5.251578958846395e+00 +#BASIS SET: (12s) -> [1s] +Si s +2.177953337809369e-02 -8.127697353011172e-01 +4.268788542106363e-02 2.540161869455915e-01 +8.366825542528471e-02 -8.260441653692396e-01 +1.639897806335580e-01 -7.042284475028282e-01 +3.214199700417737e-01 -2.552601511764806e+00 +6.299831412818762e-01 -1.505396562657552e+00 +1.234766956912478e+00 3.303393574256916e+00 +2.420143235548455e+00 -9.690376613114495e+00 +4.743480741674971e+00 9.045648330647964e+00 +9.297222253682943e+00 -1.549272349011153e+01 +1.822255561721856e+01 1.144490882809623e+01 +3.571620900974838e+01 -6.463826394125135e+00 +#BASIS SET: (12s) -> [1s] +P s +2.177953337809369e-02 -5.992678117117975e-01 +4.268788542106363e-02 -5.639590451519325e-01 +8.366825542528471e-02 -3.279153039984521e-01 +1.639897806335580e-01 -1.126289570398512e+00 +3.214199700417737e-01 -9.332405743480194e-01 +6.299831412818762e-01 -4.421751029323786e+00 +1.234766956912478e+00 6.871837385580875e+00 +2.420143235548455e+00 -1.516434673283948e+01 +4.743480741674971e+00 1.545938829617808e+01 +9.297222253682943e+00 -2.083107788400957e+01 +1.822255561721856e+01 1.413607957604108e+01 +3.571620900974838e+01 -7.499457306018485e+00 +#BASIS SET: (13s) -> [1s] +S s +2.177953337809369e-02 -1.748811040801229e+00 +4.268788542106363e-02 2.845631621603388e+00 +8.366825542528471e-02 -5.392239935230464e+00 +1.639897806335580e-01 5.040648057358339e+00 +3.214199700417737e-01 -7.884977125562727e+00 +6.299831412818762e-01 2.485891971737146e+00 +1.234766956912478e+00 -2.994288264773786e+00 +2.420143235548455e+00 -1.290586609393358e-01 +4.743480741674971e+00 -5.327800851315260e+00 +9.297222253682943e+00 3.837245954200625e+00 +1.822255561721856e+01 -9.305896442849189e+00 +3.571620900974838e+01 6.987646126188338e+00 +7.000376965910681e+01 -4.413991409615846e+00 +#BASIS SET: (12s) -> [1s] +Cl s +4.268788542106363e-02 -2.636824076374978e+00 +8.366825542528471e-02 3.893888689319283e+00 +1.639897806335580e-01 -6.755512725554581e+00 +3.214199700417737e-01 5.247693471188541e+00 +6.299831412818762e-01 -1.081530330848182e+01 +1.234766956912478e+00 6.393424695415888e+00 +2.420143235548455e+00 -5.076906891306862e+00 +4.743480741674971e+00 -3.899564246763475e+00 +9.297222253682943e+00 4.646057634497993e+00 +1.822255561721856e+01 -1.124528831912903e+01 +3.571620900974838e+01 8.283061239490053e+00 +7.000376965910681e+01 -5.034726162301013e+00 +#BASIS SET: (12s) -> [1s] +Ar s +4.268788542106363e-02 -1.465912932323135e+00 +8.366825542528471e-02 8.208771993740811e-01 +1.639897806335580e-01 -2.222161542420508e+00 +3.214199700417737e-01 2.881619631662033e-01 +6.299831412818762e-01 -5.233347484027036e+00 +1.234766956912478e+00 -2.322904476779513e+00 +2.420143235548455e+00 4.629048535309266e+00 +4.743480741674971e+00 -1.271069027157500e+01 +9.297222253682943e+00 1.159485676488839e+01 +1.822255561721856e+01 -1.611130312993191e+01 +3.571620900974838e+01 1.059347901405999e+01 +7.000376965910681e+01 -5.860103639740828e+00 +#BASIS SET: (14s) -> [1s] +K s +1.111200682555800e-02 -1.868893032172494e+00 +2.177953337809369e-02 3.078620213603926e+00 +4.268788542106363e-02 -4.315828271145620e+00 +8.366825542528471e-02 3.423672902305952e+00 +1.639897806335580e-01 -3.997059524144788e+00 +3.214199700417737e-01 -6.914836289797677e-01 +6.299831412818762e-01 -4.589081831509247e-01 +1.234766956912478e+00 -8.944512780741206e+00 +2.420143235548455e+00 9.727343792110332e+00 +4.743480741674971e+00 -1.593850292658317e+01 +9.297222253682943e+00 1.350298732925148e+01 +1.822255561721856e+01 -1.747155213092628e+01 +3.571620900974838e+01 1.128918729657016e+01 +7.000376965910681e+01 -6.335071055997602e+00 +#BASIS SET: (14s) -> [1s] +Ca s +1.111200682555800e-02 -1.525257673467010e+00 +2.177953337809369e-02 7.075816656063125e-01 +4.268788542106363e-02 -8.324172611601171e-01 +8.366825542528471e-02 -4.449924404343619e-01 +1.639897806335580e-01 1.290201511646956e+00 +3.214199700417737e-01 -6.566388854744218e+00 +6.299831412818762e-01 3.164121788609918e+00 +1.234766956912478e+00 -9.190243014527368e+00 +2.420143235548455e+00 6.880546056716412e+00 +4.743480741674971e+00 -1.215471686268575e+01 +9.297222253682943e+00 1.025346390275809e+01 +1.822255561721856e+01 -1.572481737985800e+01 +3.571620900974838e+01 1.069684514173423e+01 +7.000376965910681e+01 -6.553926580195096e+00 +#BASIS SET: (15s) -> [1s] +Sc s +5.669391237529597e-03 -8.552034009326803e-01 +1.111200682555800e-02 9.627373355381224e-01 +2.177953337809369e-02 -2.500977194512416e+00 +4.268788542106363e-02 2.034590825634950e+00 +8.366825542528471e-02 -3.921158842204022e+00 +1.639897806335580e-01 3.045579381818243e+00 +3.214199700417737e-01 -4.590542378326063e+00 +6.299831412818762e-01 -1.311264557618415e+00 +1.234766956912478e+00 -4.090548139967723e+00 +2.420143235548455e+00 1.804400855267886e+00 +4.743480741674971e+00 -8.217338427959476e+00 +9.297222253682943e+00 7.726204846054316e+00 +1.822255561721856e+01 -1.476115518511506e+01 +3.571620900974838e+01 1.059653780347435e+01 +7.000376965910681e+01 -6.921862921152012e+00 +#BASIS SET: (14s) -> [1s] +Ti s +1.111200682555800e-02 -8.063277009968317e-01 +2.177953337809369e-02 7.331139954674200e-01 +4.268788542106363e-02 -1.492087839801115e+00 +8.366825542528471e-02 7.256488069106126e-01 +1.639897806335580e-01 -2.471993486678912e+00 +3.214199700417737e-01 -1.449695436956972e+00 +6.299831412818762e-01 -4.657828277959197e-01 +1.234766956912478e+00 -8.171648535630084e+00 +2.420143235548455e+00 3.687349068954063e+00 +4.743480741674971e+00 -8.708827288268367e+00 +9.297222253682943e+00 8.234626300472883e+00 +1.822255561721856e+01 -1.578979951803922e+01 +3.571620900974838e+01 1.150842548951914e+01 +7.000376965910681e+01 -7.533001027156701e+00 +#BASIS SET: (14s) -> [1s] +V s +2.177953337809369e-02 -1.686619506929702e+00 +4.268788542106363e-02 3.188741842070385e+00 +8.366825542528471e-02 -5.148078081609128e+00 +1.639897806335580e-01 4.153940793183210e+00 +3.214199700417737e-01 -6.748953925689420e+00 +6.299831412818762e-01 1.939840487302718e+00 +1.234766956912478e+00 -7.605838704002963e+00 +2.420143235548455e+00 -3.538753213426389e+00 +4.743480741674971e+00 4.441538538027089e+00 +9.297222253682943e+00 -1.108003329409985e+01 +1.822255561721856e+01 8.452894140820717e+00 +3.571620900974838e+01 -1.262985983394901e+01 +7.000376965910681e+01 8.134323001373559e+00 +1.372073885318493e+02 -4.873142243071214e+00 +#BASIS SET: (14s) -> [1s] +Cr s +2.177953337809369e-02 -2.106144823921113e+00 +4.268788542106363e-02 3.980829489885537e+00 +8.366825542528471e-02 -5.994532061338305e+00 +1.639897806335580e-01 4.851140769250378e+00 +3.214199700417737e-01 -7.409478412713725e+00 +6.299831412818762e-01 2.619964972185699e+00 +1.234766956912478e+00 -7.158408840565244e+00 +2.420143235548455e+00 -5.550860529532656e+00 +4.743480741674971e+00 5.046611120415037e+00 +9.297222253682943e+00 -1.072860664343170e+01 +1.822255561721856e+01 7.932173420398613e+00 +3.571620900974838e+01 -1.264185859471036e+01 +7.000376965910681e+01 8.319026248762384e+00 +1.372073885318493e+02 -5.159856114684544e+00 +#BASIS SET: (14s) -> [1s] +Mn s +1.111200682555800e-02 -6.340877213818601e-01 +2.177953337809369e-02 -5.089406782436754e-01 +4.268788542106363e-02 -1.943858422259837e-01 +8.366825542528471e-02 2.777538878490304e-02 +1.639897806335580e-01 -1.064093356759258e+00 +3.214199700417737e-01 -8.895238627010258e-01 +6.299831412818762e-01 -3.455527634785540e+00 +1.234766956912478e+00 -4.444926846008457e+00 +2.420143235548455e+00 -1.699175533503876e+00 +4.743480741674971e+00 -9.113211921183392e+00 +9.297222253682943e+00 1.270362931335694e+01 +1.822255561721856e+01 -2.176230917967041e+01 +3.571620900974838e+01 1.587959512264206e+01 +7.000376965910681e+01 -9.844817248320425e+00 +#BASIS SET: (16s) -> [1s] +Fe s +5.669391237529597e-03 -5.460467216779534e-01 +1.111200682555800e-02 3.606577134278268e-01 +2.177953337809369e-02 -1.195251775550787e+00 +4.268788542106363e-02 2.237606831367884e-01 +8.366825542528471e-02 -7.910077976630419e-01 +1.639897806335580e-01 -1.588195839009131e+00 +3.214199700417737e-01 1.233673743845429e+00 +6.299831412818762e-01 -6.503713323851116e+00 +1.234766956912478e+00 1.043648906808812e+00 +2.420143235548455e+00 -1.073371897498146e+01 +4.743480741674971e+00 4.252512341015972e+00 +9.297222253682943e+00 -8.425313347950578e+00 +1.822255561721856e+01 6.228235593531281e+00 +3.571620900974838e+01 -1.250932107912377e+01 +7.000376965910681e+01 8.731403494603001e+00 +1.372073885318493e+02 -5.781323616561281e+00 +#BASIS SET: (14s) -> [1s] +Co s +2.177953337809369e-02 -2.528532055404781e+00 +4.268788542106363e-02 3.769250462868627e+00 +8.366825542528471e-02 -5.705125780945309e+00 +1.639897806335580e-01 5.232529499686279e+00 +3.214199700417737e-01 -6.852861972987739e+00 +6.299831412818762e-01 1.463030190629070e+00 +1.234766956912478e+00 -5.772713408783602e+00 +2.420143235548455e+00 -6.287488362075237e+00 +4.743480741674971e+00 -5.329790820687776e-01 +9.297222253682943e+00 -4.516536824638024e+00 +1.822255561721856e+01 3.754386153683299e+00 +3.571620900974838e+01 -1.167969724182331e+01 +7.000376965910681e+01 8.722875845662202e+00 +1.372073885318493e+02 -6.066137423802701e+00 +#BASIS SET: (14s) -> [1s] +Ni s +2.177953337809369e-02 -1.145055559700069e+00 +4.268788542106363e-02 1.235558740113447e+00 +8.366825542528471e-02 -2.172119210598339e+00 +1.639897806335580e-01 1.569054934551787e+00 +3.214199700417737e-01 -2.703123285940819e+00 +6.299831412818762e-01 -2.018595038174681e+00 +1.234766956912478e+00 -3.469156095081416e+00 +2.420143235548455e+00 -9.723353525325365e+00 +4.743480741674971e+00 1.254665517539252e+00 +9.297222253682943e+00 -6.096447473508306e+00 +1.822255561721856e+01 5.490701651142444e+00 +3.571620900974838e+01 -1.352028713531035e+01 +7.000376965910681e+01 9.923699477905757e+00 +1.372073885318493e+02 -6.625542997613337e+00 +#BASIS SET: (14s) -> [1s] +Cu s +2.177953337809369e-02 -1.751416886562481e+00 +4.268788542106363e-02 2.683338125355363e+00 +8.366825542528471e-02 -4.254084901537681e+00 +1.639897806335580e-01 3.565769808263212e+00 +3.214199700417737e-01 -4.834211733341363e+00 +6.299831412818762e-01 4.489044065703638e-01 +1.234766956912478e+00 -5.094064988974424e+00 +2.420143235548455e+00 -7.875397540978156e+00 +4.743480741674971e+00 -2.141188224719372e+00 +9.297222253682943e+00 -4.260544704025961e+00 +1.822255561721856e+01 5.172321080026450e+00 +3.571620900974838e+01 -1.419475007016445e+01 +7.000376965910681e+01 1.061549563657900e+01 +1.372073885318493e+02 -7.080170006490505e+00 +#BASIS SET: (14s) -> [1s] +Zn s +2.177953337809369e-02 -1.963742940281833e+00 +4.268788542106363e-02 2.275211191519475e+00 +8.366825542528471e-02 -3.284164746822171e+00 +1.639897806335580e-01 2.769912266760912e+00 +3.214199700417737e-01 -4.228262691394775e+00 +6.299831412818762e-01 -5.144980953555205e-01 +1.234766956912478e+00 -3.871620914251253e+00 +2.420143235548455e+00 -7.589968777807371e+00 +4.743480741674971e+00 -3.969661601484404e+00 +9.297222253682943e+00 -4.281523821016890e+00 +1.822255561721856e+01 6.369179377361434e+00 +3.571620900974838e+01 -1.578920794741134e+01 +7.000376965910681e+01 1.170615515747340e+01 +1.372073885318493e+02 -7.627806457289665e+00 +#BASIS SET: (16s) -> [1s] +Ga s +5.669391237529597e-03 -6.144875043171396e-01 +1.111200682555800e-02 6.450197369049420e-01 +2.177953337809369e-02 -1.361550048950448e+00 +4.268788542106363e-02 6.272760151769035e-01 +8.366825542528471e-02 -1.551940243531135e+00 +1.639897806335580e-01 -1.599206291575683e-01 +3.214199700417737e-01 -8.207455298979767e-01 +6.299831412818762e-01 -3.006044477748219e+00 +1.234766956912478e+00 -2.125409198692068e+00 +2.420143235548455e+00 -7.670524948043749e+00 +4.743480741674971e+00 -4.594654682441615e+00 +9.297222253682943e+00 -5.967646518256515e+00 +1.822255561721856e+01 8.874254762427881e+00 +3.571620900974838e+01 -1.813968657189980e+01 +7.000376965910681e+01 1.311497783887899e+01 +1.372073885318493e+02 -8.248918000452477e+00 +#BASIS SET: (14s) -> [1s] +Ge s +2.177953337809369e-02 -1.929473722630064e+00 +4.268788542106363e-02 2.656334247774794e+00 +8.366825542528471e-02 -4.888204175592364e+00 +1.639897806335580e-01 3.820401422545729e+00 +3.214199700417737e-01 -6.358795209449454e+00 +6.299831412818762e-01 3.109851340799651e+00 +1.234766956912478e+00 -7.729020964769006e+00 +2.420143235548455e+00 -2.192826543832780e+00 +4.743480741674971e+00 -8.493037646709126e+00 +9.297222253682943e+00 -5.747540776588721e+00 +1.822255561721856e+01 1.000768268387765e+01 +3.571620900974838e+01 -1.958757381106261e+01 +7.000376965910681e+01 1.411465394437255e+01 +1.372073885318493e+02 -8.782450788736242e+00 +#BASIS SET: (14s) -> [1s] +As s +2.177953337809369e-02 -7.679072594354466e-01 +4.268788542106363e-02 -2.630270365664273e-01 +8.366825542528471e-02 -9.617293739770503e-01 +1.639897806335580e-01 -1.730366954052442e-01 +3.214199700417737e-01 -3.391387913716244e+00 +6.299831412818762e-01 -4.462472440172860e-01 +1.234766956912478e+00 -3.420383544034848e+00 +2.420143235548455e+00 -6.353496007141075e+00 +4.743480741674971e+00 -3.412845661878237e+00 +9.297222253682943e+00 -1.267319323256379e+01 +1.822255561721856e+01 1.589818016134086e+01 +3.571620900974838e+01 -2.369609072408639e+01 +7.000376965910681e+01 1.622268437824096e+01 +1.372073885318493e+02 -9.561519846759779e+00 +#BASIS SET: (15s) -> [1s] +Se s +1.111200682555800e-02 -5.482843479080657e-01 +2.177953337809369e-02 3.322848915559007e-01 +4.268788542106363e-02 -1.635620422828651e+00 +8.366825542528471e-02 9.185617815019214e-01 +1.639897806335580e-01 -2.365644262194110e+00 +3.214199700417737e-01 -1.432083212202997e+00 +6.299831412818762e-01 -3.373339062323794e+00 +1.234766956912478e+00 2.662438130064402e-01 +2.420143235548455e+00 -1.028779324842617e+01 +4.743480741674971e+00 1.802090307290200e+00 +9.297222253682943e+00 -1.935468437091913e+01 +1.822255561721856e+01 2.112648076226469e+01 +3.571620900974838e+01 -2.721167887549382e+01 +7.000376965910681e+01 1.804134663043078e+01 +1.372073885318493e+02 -1.027788038375320e+01 +#BASIS SET: (14s) -> [1s] +Br s +2.177953337809369e-02 -7.752297921769014e-01 +4.268788542106363e-02 -1.860541848500361e-01 +8.366825542528471e-02 -1.081734944095842e+00 +1.639897806335580e-01 -7.515246482398652e-02 +3.214199700417737e-01 -3.274894157679228e+00 +6.299831412818762e-01 -3.688500926346023e+00 +1.234766956912478e+00 1.804842333076522e+00 +2.420143235548455e+00 -1.240857070694619e+01 +4.743480741674971e+00 5.264871115432470e+00 +9.297222253682943e+00 -2.388733944151318e+01 +1.822255561721856e+01 2.420616176884505e+01 +3.571620900974838e+01 -2.924039051969885e+01 +7.000376965910681e+01 1.919196336818277e+01 +1.372073885318493e+02 -1.084997144740657e+01 +#BASIS SET: (13s) -> [1s] +Kr s +4.268788542106363e-02 -2.315640245942632e+00 +8.366825542528471e-02 2.551871241768822e+00 +1.639897806335580e-01 -5.195725474040955e+00 +3.214199700417737e-01 3.403570324182510e+00 +6.299831412818762e-01 -1.233444903325289e+01 +1.234766956912478e+00 1.003123393841088e+01 +2.420143235548455e+00 -1.951589621230960e+01 +4.743480741674971e+00 1.209129829891026e+01 +9.297222253682943e+00 -3.014392424002290e+01 +1.822255561721856e+01 2.797483518905938e+01 +3.571620900974838e+01 -3.155815403070301e+01 +7.000376965910681e+01 2.046746176294982e+01 +1.372073885318493e+02 -1.145648151900969e+01 +#BASIS SET: (16s) -> [1s] +Rb s +1.111200682555800e-02 -2.310813043993903e+00 +2.177953337809369e-02 4.350733911091993e+00 +4.268788542106363e-02 -6.702976151136681e+00 +8.366825542528471e-02 6.668531755152799e+00 +1.639897806335580e-01 -9.203473289075191e+00 +3.214199700417737e-01 5.381848490360426e+00 +6.299831412818762e-01 -1.013288545561954e+01 +1.234766956912478e+00 3.320984141668305e+00 +2.420143235548455e+00 -8.647734191152267e+00 +4.743480741674971e+00 -3.226284619071521e+00 +9.297222253682943e+00 -8.467507911846042e+00 +1.822255561721856e+01 -2.391277117421851e+00 +3.571620900974838e+01 4.099891467718408e+00 +7.000376965910681e+01 -1.287111280183308e+01 +1.372073885318493e+02 9.382559465477243e+00 +2.689264815224247e+02 -6.250484650319095e+00 +#BASIS SET: (16s) -> [1s] +Sr s +1.111200682555800e-02 -2.179206017138313e+00 +2.177953337809369e-02 2.230979425279656e+00 +4.268788542106363e-02 -3.177888619018631e+00 +8.366825542528471e-02 2.836789899061841e+00 +1.639897806335580e-01 -3.527011938640499e+00 +3.214199700417737e-01 -3.363381187024061e+00 +6.299831412818762e-01 -6.217338123824447e-01 +1.234766956912478e+00 -4.876159032806754e+00 +2.420143235548455e+00 -2.009781687054783e+00 +4.743480741674971e+00 -8.510337699903175e+00 +9.297222253682943e+00 -3.629010556964204e+00 +1.822255561721856e+01 -8.054243391379714e+00 +3.571620900974838e+01 8.925811413209885e+00 +7.000376965910681e+01 -1.630134769110009e+01 +1.372073885318493e+02 1.109808023739606e+01 +2.689264815224247e+02 -6.841559341534776e+00 +#BASIS SET: (17s) -> [1s] +Y s +5.669391237529597e-03 -1.107599995433702e+00 +1.111200682555800e-02 1.396149586420506e+00 +2.177953337809369e-02 -3.314586645457894e+00 +4.268788542106363e-02 2.940880254842341e+00 +8.366825542528471e-02 -5.246629188768566e+00 +1.639897806335580e-01 5.183645196259022e+00 +3.214199700417737e-01 -9.790526717901230e+00 +6.299831412818762e-01 2.474236886948347e+00 +1.234766956912478e+00 -5.742113955318928e+00 +2.420143235548455e+00 -1.780234917998314e+00 +4.743480741674971e+00 -8.748298838734627e+00 +9.297222253682943e+00 -2.604689259082079e+00 +1.822255561721856e+01 -1.070503756776452e+01 +3.571620900974838e+01 1.142786356620491e+01 +7.000376965910681e+01 -1.825113547407091e+01 +1.372073885318493e+02 1.215650724805892e+01 +2.689264815224247e+02 -7.288430178203271e+00 +#BASIS SET: (16s) -> [1s] +Zr s +1.111200682555800e-02 -1.125075370147442e+00 +2.177953337809369e-02 1.623692981336717e+00 +4.268788542106363e-02 -2.709255590107205e+00 +8.366825542528471e-02 1.883190856751753e+00 +1.639897806335580e-01 -4.822829566299333e+00 +3.214199700417737e-01 8.361250536108855e-01 +6.299831412818762e-01 -6.765411242726259e+00 +1.234766956912478e+00 -2.705329236458056e+00 +2.420143235548455e+00 -6.737395494710654e-01 +4.743480741674971e+00 -1.061726611061022e+01 +9.297222253682943e+00 -7.440138072706759e-02 +1.822255561721856e+01 -1.446521399612539e+01 +3.571620900974838e+01 1.453352043172345e+01 +7.000376965910681e+01 -2.049154210486449e+01 +1.372073885318493e+02 1.333295549650211e+01 +2.689264815224247e+02 -7.759420672388387e+00 +#BASIS SET: (15s) -> [1s] +Nb s +2.177953337809369e-02 -1.636085063421888e+00 +4.268788542106363e-02 2.723145055623718e+00 +8.366825542528471e-02 -4.867695230805111e+00 +1.639897806335580e-01 3.187731189198530e+00 +3.214199700417737e-01 -7.747279116636491e+00 +6.299831412818762e-01 1.089148434679373e+00 +1.234766956912478e+00 -1.156391292094486e+01 +2.420143235548455e+00 7.744474189588800e+00 +4.743480741674971e+00 -1.756918991706334e+01 +9.297222253682943e+00 6.251788704423234e+00 +1.822255561721856e+01 -2.072095651284326e+01 +3.571620900974838e+01 1.905906619864982e+01 +7.000376965910681e+01 -2.344770343345590e+01 +1.372073885318493e+02 1.479134009062545e+01 +2.689264815224247e+02 -8.293871667618077e+00 +#BASIS SET: (15s) -> [1s] +Mo s +2.177953337809369e-02 -2.212583721165402e+00 +4.268788542106363e-02 4.183831486839154e+00 +8.366825542528471e-02 -6.880174509045901e+00 +1.639897806335580e-01 5.315373043114960e+00 +3.214199700417737e-01 -1.030109088489553e+01 +6.299831412818762e-01 4.479843367385911e+00 +1.234766956912478e+00 -1.590621158384602e+01 +2.420143235548455e+00 1.103884855052456e+01 +4.743480741674971e+00 -1.968325271271169e+01 +9.297222253682943e+00 8.370438350946642e+00 +1.822255561721856e+01 -2.333020177565049e+01 +3.571620900974838e+01 2.073839796450920e+01 +7.000376965910681e+01 -2.462973948789295e+01 +1.372073885318493e+02 1.547737874643644e+01 +2.689264815224247e+02 -8.660856834548895e+00 +#BASIS SET: (16s) -> [1s] +Tc s +1.111200682555800e-02 -8.897171346825417e-01 +2.177953337809369e-02 -2.106305563738715e-01 +4.268788542106363e-02 -3.289225092412380e-01 +8.366825542528471e-02 -3.216947424953105e-01 +1.639897806335580e-01 -7.531391945522046e-01 +3.214199700417737e-01 -3.624013453518273e+00 +6.299831412818762e-01 -4.010133957606740e+00 +1.234766956912478e+00 -6.989458672353067e+00 +2.420143235548455e+00 1.656608209246770e+00 +4.743480741674971e+00 -1.088975640432909e+01 +9.297222253682943e+00 1.518799068871886e+00 +1.822255561721856e+01 -1.874159770016558e+01 +3.571620900974838e+01 1.716080415551551e+01 +7.000376965910681e+01 -2.265534773282707e+01 +1.372073885318493e+02 1.481195547408424e+01 +2.689264815224247e+02 -8.733754849573415e+00 +#BASIS SET: (16s) -> [1s] +Ru s +1.111200682555800e-02 -1.150399163544762e+00 +2.177953337809369e-02 1.172352870176837e+00 +4.268788542106363e-02 -3.156104921708902e+00 +8.366825542528471e-02 3.341947147280734e+00 +1.639897806335580e-01 -4.853877993940841e+00 +3.214199700417737e-01 2.929280920652673e-01 +6.299831412818762e-01 -6.399289839202538e+00 +1.234766956912478e+00 -6.688734957017004e+00 +2.420143235548455e+00 6.934794583357871e-01 +4.743480741674971e+00 -9.323152869474143e+00 +9.297222253682943e+00 5.548612978309393e-01 +1.822255561721856e+01 -1.853111198940314e+01 +3.571620900974838e+01 1.655664937593974e+01 +7.000376965910681e+01 -2.244774729665369e+01 +1.372073885318493e+02 1.491840042942204e+01 +2.689264815224247e+02 -8.980199640106321e+00 +#BASIS SET: (15s) -> [1s] +Rh s +2.177953337809369e-02 -1.551424617856242e+00 +4.268788542106363e-02 2.200190542119344e+00 +8.366825542528471e-02 -4.309034579680883e+00 +1.639897806335580e-01 4.284838140556531e+00 +3.214199700417737e-01 -8.433982115486288e+00 +6.299831412818762e-01 2.127406124491245e+00 +1.234766956912478e+00 -1.718875862355344e+01 +2.420143235548455e+00 8.633826395031065e+00 +4.743480741674971e+00 -1.455210307409288e+01 +9.297222253682943e+00 4.909201228874736e+00 +1.822255561721856e+01 -2.223997398046777e+01 +3.571620900974838e+01 1.861480557103641e+01 +7.000376965910681e+01 -2.384086478292011e+01 +1.372073885318493e+02 1.572909536107909e+01 +2.689264815224247e+02 -9.383221589130812e+00 +#BASIS SET: (15s) -> [1s] +Pd s +2.177953337809369e-02 -8.183109850773462e-01 +4.268788542106363e-02 3.501577250863193e-01 +8.366825542528471e-02 -1.712566308728128e+00 +1.639897806335580e-01 1.494376994916820e+00 +3.214199700417737e-01 -5.253161094806273e+00 +6.299831412818762e-01 -7.316952955588931e-01 +1.234766956912478e+00 -1.500434934231453e+01 +2.420143235548455e+00 4.387141908868216e+00 +4.743480741674971e+00 -9.872004721546546e+00 +9.297222253682943e+00 1.433487950707786e+00 +1.822255561721856e+01 -1.984536134917289e+01 +3.571620900974838e+01 1.638836608291604e+01 +7.000376965910681e+01 -2.275384579109959e+01 +1.372073885318493e+02 1.550390445580706e+01 +2.689264815224247e+02 -9.566140229998041e+00 +#BASIS SET: (15s) -> [1s] +Ag s +2.177953337809369e-02 -2.208886560187466e+00 +4.268788542106363e-02 3.927438619369241e+00 +8.366825542528471e-02 -6.677554506213710e+00 +1.639897806335580e-01 6.579421252543398e+00 +3.214199700417737e-01 -1.052925459442486e+01 +6.299831412818762e-01 5.109274077418377e+00 +1.234766956912478e+00 -1.932286537555046e+01 +2.420143235548455e+00 5.325528669520281e+00 +4.743480741674971e+00 -1.019013059890131e+01 +9.297222253682943e+00 2.424265635781921e+00 +1.822255561721856e+01 -2.098331505246460e+01 +3.571620900974838e+01 1.674453170911875e+01 +7.000376965910681e+01 -2.329071700351778e+01 +1.372073885318493e+02 1.600993792561349e+01 +2.689264815224247e+02 -9.917674198105260e+00 +#BASIS SET: (15s) -> [1s] +Cd s +2.177953337809369e-02 -2.721490860196127e+00 +4.268788542106363e-02 4.162217377468551e+00 +8.366825542528471e-02 -6.262440203174265e+00 +1.639897806335580e-01 6.435970720558544e+00 +3.214199700417737e-01 -1.091660685712122e+01 +6.299831412818762e-01 4.901970288323355e+00 +1.234766956912478e+00 -1.693129077513004e+01 +2.420143235548455e+00 7.623168184072711e-01 +4.743480741674971e+00 -6.688311224686913e+00 +9.297222253682943e+00 6.440959523897618e-01 +1.822255561721856e+01 -2.002050143911038e+01 +3.571620900974838e+01 1.570136619824916e+01 +7.000376965910681e+01 -2.308186208293773e+01 +1.372073885318493e+02 1.622623322781874e+01 +2.689264815224247e+02 -1.021166714085871e+01 +#BASIS SET: (17s) -> [1s] +In s +5.669391237529597e-03 -6.489144704246428e-01 +1.111200682555800e-02 6.801164417993277e-01 +2.177953337809369e-02 -1.681339225731790e+00 +4.268788542106363e-02 1.068167730234563e+00 +8.366825542528471e-02 -2.493946442380548e+00 +1.639897806335580e-01 1.232299955561757e+00 +3.214199700417737e-01 -4.195829998701811e+00 +6.299831412818762e-01 -2.167742133140564e+00 +1.234766956912478e+00 -8.973937809467316e+00 +2.420143235548455e+00 -7.544794704765081e+00 +4.743480741674971e+00 -9.576158672571182e-01 +9.297222253682943e+00 -2.644844491034746e+00 +1.822255561721856e+01 -1.791653545945883e+01 +3.571620900974838e+01 1.393182896077633e+01 +7.000376965910681e+01 -2.252172298543155e+01 +1.372073885318493e+02 1.631844884436578e+01 +2.689264815224247e+02 -1.048363834494376e+01 +#BASIS SET: (15s) -> [1s] +Sn s +2.177953337809369e-02 -1.306720823567503e+00 +4.268788542106363e-02 1.128113766711976e+00 +8.366825542528471e-02 -2.488902738852630e+00 +1.639897806335580e-01 -3.404406256449874e-01 +3.214199700417737e-01 -4.720318968247739e+00 +6.299831412818762e-01 1.024648180988152e+00 +1.234766956912478e+00 -1.127415699139237e+01 +2.420143235548455e+00 -6.288981087564025e+00 +4.743480741674971e+00 -3.787039282033220e+00 +9.297222253682943e+00 1.075500623090193e+00 +1.822255561721856e+01 -2.114811065385584e+01 +3.571620900974838e+01 1.596495384722948e+01 +7.000376965910681e+01 -2.428202215570491e+01 +1.372073885318493e+02 1.742806933302199e+01 +2.689264815224247e+02 -1.098459242417857e+01 +#BASIS SET: (15s) -> [1s] +Sb s +2.177953337809369e-02 -1.241736204354083e+00 +4.268788542106363e-02 2.605090973374899e-01 +8.366825542528471e-02 -1.589132765067916e+00 +1.639897806335580e-01 -3.261472299200250e-01 +3.214199700417737e-01 -4.197098995646229e+00 +6.299831412818762e-01 -1.288437518087449e+00 +1.234766956912478e+00 -8.818732681451365e+00 +2.420143235548455e+00 -7.187616961542517e+00 +4.743480741674971e+00 -5.610526758595370e+00 +9.297222253682943e+00 3.911947506479919e+00 +1.822255561721856e+01 -2.357600608468056e+01 +3.571620900974838e+01 1.747781664924696e+01 +7.000376965910681e+01 -2.579369177110493e+01 +1.372073885318493e+02 1.844859419914428e+01 +2.689264815224247e+02 -1.146974048175821e+01 +#BASIS SET: (16s) -> [1s] +Te s +1.111200682555800e-02 -6.860747901348532e-01 +2.177953337809369e-02 3.756584312395717e-01 +4.268788542106363e-02 -1.953803957021591e+00 +8.366825542528471e-02 1.193132369779050e+00 +1.639897806335580e-01 -3.483398035183200e+00 +3.214199700417737e-01 -1.800269400438992e+00 +6.299831412818762e-01 -3.269351397349965e+00 +1.234766956912478e+00 -7.081864984356798e+00 +2.420143235548455e+00 -7.735592089360580e+00 +4.743480741674971e+00 -7.297191921155900e+00 +9.297222253682943e+00 6.155405556317419e+00 +1.822255561721856e+01 -2.527635276643559e+01 +3.571620900974838e+01 1.845661759423092e+01 +7.000376965910681e+01 -2.701972911693156e+01 +1.372073885318493e+02 1.935525598411914e+01 +2.689264815224247e+02 -1.193244147731707e+01 +#BASIS SET: (15s) -> [1s] +I s +2.177953337809369e-02 -1.281299829027830e+00 +4.268788542106363e-02 4.664910747815156e-01 +8.366825542528471e-02 -2.210536460876028e+00 +1.639897806335580e-01 8.849831359693781e-01 +3.214199700417737e-01 -7.240514372650068e+00 +6.299831412818762e-01 1.801884596294258e+00 +1.234766956912478e+00 -1.155306465044850e+01 +2.420143235548455e+00 -3.056516881566495e+00 +4.743480741674971e+00 -1.288513854111079e+01 +9.297222253682943e+00 1.105319655290805e+01 +1.822255561721856e+01 -2.879922844155226e+01 +3.571620900974838e+01 2.073132891301066e+01 +7.000376965910681e+01 -2.905249167443253e+01 +1.372073885318493e+02 2.061685968795791e+01 +2.689264815224247e+02 -1.247595310925726e+01 +#BASIS SET: (15s) -> [1s] +Xe s +4.268788542106363e-02 -3.683197842866093e+00 +8.366825542528471e-02 5.205931402912938e+00 +1.639897806335580e-01 -9.024266066826385e+00 +3.214199700417737e-01 4.022210345530766e+00 +6.299831412818762e-01 -1.163057922455482e+01 +1.234766956912478e+00 3.520784391905181e+00 +2.420143235548455e+00 -1.921185415540822e+01 +4.743480741674971e+00 4.910550822154619e+00 +9.297222253682943e+00 -1.157667394576129e+01 +1.822255561721856e+01 9.801449468359351e-01 +3.571620900974838e+01 -1.694355640420690e+01 +7.000376965910681e+01 1.324194221175276e+01 +1.372073885318493e+02 -1.852011200587731e+01 +2.689264815224247e+02 1.199118703044951e+01 +5.270959037839524e+02 -7.282511506040692e+00 +#BASIS SET: (17s) -> [1s] +Cs s +5.669391237529597e-03 -7.382588321343064e-01 +1.111200682555800e-02 1.236757037695497e-01 +2.177953337809369e-02 -3.235517116263509e-01 +4.268788542106363e-02 -3.744562286883593e-01 +8.366825542528471e-02 -1.102203898131847e+00 +1.639897806335580e-01 -2.276765912771225e+00 +3.214199700417737e-01 -2.717457186430693e+00 +6.299831412818762e-01 -3.264108747243881e+00 +1.234766956912478e+00 -7.089836951345205e+00 +2.420143235548455e+00 -5.694025553762913e+00 +4.743480741674971e+00 -1.286886639893055e+01 +9.297222253682943e+00 1.078408151119947e+01 +1.822255561721856e+01 -2.782288983464241e+01 +3.571620900974838e+01 1.983979313075542e+01 +7.000376965910681e+01 -3.003096850775182e+01 +1.372073885318493e+02 2.183902394212782e+01 +2.689264815224247e+02 -1.328318452439271e+01 +#BASIS SET: (17s) -> [1s] +Ba s +1.111200682555800e-02 -3.338668509997660e+00 +2.177953337809369e-02 5.129114085342735e+00 +4.268788542106363e-02 -7.629678766243160e+00 +8.366825542528471e-02 8.811950444243848e+00 +1.639897806335580e-01 -1.296809362061322e+01 +3.214199700417737e-01 5.069862117990851e+00 +6.299831412818762e-01 -8.260466739535332e+00 +1.234766956912478e+00 -1.867711670696735e+00 +2.420143235548455e+00 -1.303674224019051e+01 +4.743480741674971e+00 -2.070004284381866e+00 +9.297222253682943e+00 -6.667962543666363e+00 +1.822255561721856e+01 -1.608647659420967e+00 +3.571620900974838e+01 -1.588657208532095e+01 +7.000376965910681e+01 1.201980371400714e+01 +1.372073885318493e+02 -1.824141249060631e+01 +2.689264815224247e+02 1.219014871492982e+01 +5.270959037839524e+02 -7.644918465841329e+00 +#BASIS SET: (18s) -> [1s] +La s +5.669391237529597e-03 -7.169928619074426e-01 +1.111200682555800e-02 1.421212371606657e-01 +2.177953337809369e-02 -1.913261220277263e+00 +4.268788542106363e-02 1.760648717566255e+00 +8.366825542528471e-02 -2.588861264182924e+00 +1.639897806335580e-01 -2.579838429919619e-01 +3.214199700417737e-01 -7.794988338440817e+00 +6.299831412818762e-01 2.223671563548123e+00 +1.234766956912478e+00 -9.525335312842799e+00 +2.420143235548455e+00 -6.753806422195339e+00 +4.743480741674971e+00 -7.762787777697667e+00 +9.297222253682943e+00 -2.656653323414503e+00 +1.822255561721856e+01 -4.170768843003316e+00 +3.571620900974838e+01 -1.425506205100100e+01 +7.000376965910681e+01 1.060002989321947e+01 +1.372073885318493e+02 -1.764981355471537e+01 +2.689264815224247e+02 1.211013004992856e+01 +5.270959037839524e+02 -7.790286648752669e+00 +#BASIS SET: (17s) -> [1s] +Ce s +1.111200682555800e-02 -8.889826244558208e-01 +2.177953337809369e-02 9.245868131984025e-01 +4.268788542106363e-02 -1.967003563884646e+00 +8.366825542528471e-02 5.692705661058426e-01 +1.639897806335580e-01 -4.344813488423824e+00 +3.214199700417737e-01 -1.377392068505287e+00 +6.299831412818762e-01 -8.736962504684925e+00 +1.234766956912478e+00 2.035104520618916e+00 +2.420143235548455e+00 -1.570297385379672e+01 +4.743480741674971e+00 -1.075805239379406e+00 +9.297222253682943e+00 -9.005963817238808e+00 +1.822255561721856e+01 1.699916593730450e+00 +3.571620900974838e+01 -1.909386935085058e+01 +7.000376965910681e+01 1.374443661794066e+01 +1.372073885318493e+02 -1.979979541152716e+01 +2.689264815224247e+02 1.321952309738845e+01 +5.270959037839524e+02 -8.199276286235545e+00 +#BASIS SET: (17s) -> [1s] +Pr s +1.111200682555800e-02 -2.822390327666653e+00 +2.177953337809369e-02 3.813072243705392e+00 +4.268788542106363e-02 -5.643339502159506e+00 +8.366825542528471e-02 6.143626164644957e+00 +1.639897806335580e-01 -8.885349275544286e+00 +3.214199700417737e-01 8.025580719113350e-01 +6.299831412818762e-01 -5.306747917085886e+00 +1.234766956912478e+00 -4.679338421672583e+00 +2.420143235548455e+00 -9.997174907475710e+00 +4.743480741674971e+00 -8.098610430955887e+00 +9.297222253682943e+00 -3.110457137227058e+00 +1.822255561721856e+01 -2.301443591713905e+00 +3.571620900974838e+01 -1.661099404096603e+01 +7.000376965910681e+01 1.207815235480666e+01 +1.372073885318493e+02 -1.918734842538834e+01 +2.689264815224247e+02 1.315888002607971e+01 +5.270959037839524e+02 -8.353094883292215e+00 +#BASIS SET: (18s) -> [1s] +Nd s +5.669391237529597e-03 -5.312693642448494e-01 +1.111200682555800e-02 -9.744413542392749e-02 +2.177953337809369e-02 -2.458776592945924e-01 +4.268788542106363e-02 -2.866951345931739e-01 +8.366825542528471e-02 -1.007198382069873e+00 +1.639897806335580e-01 -1.948770533281277e+00 +3.214199700417737e-01 -2.250549945627426e+00 +6.299831412818762e-01 -5.638539184339606e+00 +1.234766956912478e+00 -4.300401466818585e+00 +2.420143235548455e+00 -9.806031116248050e+00 +4.743480741674971e+00 -1.004190324051888e+01 +9.297222253682943e+00 -2.198727849230636e+00 +1.822255561721856e+01 -2.071924503310584e+00 +3.571620900974838e+01 -1.730066770670237e+01 +7.000376965910681e+01 1.254180066456320e+01 +1.372073885318493e+02 -1.982665790914325e+01 +2.689264815224247e+02 1.363704907576903e+01 +5.270959037839524e+02 -8.626191609485147e+00 +#BASIS SET: (19s) -> [1s] +Pm s +2.892546549759998e-03 -8.159663874967578e-01 +5.669391237529597e-03 1.310085059389849e+00 +1.111200682555800e-02 -1.611248093235190e+00 +2.177953337809369e-02 1.647707242722390e+00 +4.268788542106363e-02 -2.400493239423668e+00 +8.366825542528471e-02 8.497941068926593e-01 +1.639897806335580e-01 -3.101158147444949e+00 +3.214199700417737e-01 -4.892336475022603e-01 +6.299831412818762e-01 -8.869050427412731e+00 +1.234766956912478e+00 -9.469264332728926e-01 +2.420143235548455e+00 -1.281648240785580e+01 +4.743480741674971e+00 -8.689200809050817e+00 +9.297222253682943e+00 -4.541595049086027e+00 +1.822255561721856e+01 9.393677976913750e-01 +3.571620900974838e+01 -2.013401811034419e+01 +7.000376965910681e+01 1.452294576191343e+01 +1.372073885318493e+02 -2.137683240091428e+01 +2.689264815224247e+02 1.451017614733428e+01 +5.270959037839524e+02 -8.987870962904424e+00 +#BASIS SET: (17s) -> [1s] +Sm s +1.111200682555800e-02 -2.403130459220847e+00 +2.177953337809369e-02 4.599563783034682e+00 +4.268788542106363e-02 -7.160251412540674e+00 +8.366825542528471e-02 7.149390524253249e+00 +1.639897806335580e-01 -1.000416019931436e+01 +3.214199700417737e-01 5.427121568471193e+00 +6.299831412818762e-01 -1.190157711878419e+01 +1.234766956912478e+00 4.358878880739212e-01 +2.420143235548455e+00 -1.365904680266976e+01 +4.743480741674971e+00 -8.441517502069473e+00 +9.297222253682943e+00 -6.395682178437710e+00 +1.822255561721856e+01 3.396932490170002e+00 +3.571620900974838e+01 -2.231884954869747e+01 +7.000376965910681e+01 1.593662675470114e+01 +1.372073885318493e+02 -2.257574201375246e+01 +2.689264815224247e+02 1.523390584625304e+01 +5.270959037839524e+02 -9.319471619470278e+00 +#BASIS SET: (17s) -> [1s] +Eu s +1.111200682555800e-02 -2.541653681604657e+00 +2.177953337809369e-02 3.113938718102872e+00 +4.268788542106363e-02 -4.526067550294101e+00 +8.366825542528471e-02 4.640848839655519e+00 +1.639897806335580e-01 -6.151734987273812e+00 +3.214199700417737e-01 -1.876445326954126e+00 +6.299831412818762e-01 -2.317599184811115e+00 +1.234766956912478e+00 -7.897424373775721e+00 +2.420143235548455e+00 -7.068135771900415e+00 +4.743480741674971e+00 -1.367454019188881e+01 +9.297222253682943e+00 -3.977595917880535e+00 +1.822255561721856e+01 2.235588900744915e+00 +3.571620900974838e+01 -2.154616831243038e+01 +7.000376965910681e+01 1.521041212975979e+01 +1.372073885318493e+02 -2.250590785965323e+01 +2.689264815224247e+02 1.541653398796916e+01 +5.270959037839524e+02 -9.534049417765345e+00 +#BASIS SET: (18s) -> [1s] +Gd s +5.669391237529597e-03 -8.443003723121336e-01 +1.111200682555800e-02 9.263189568350754e-01 +2.177953337809369e-02 -3.136728424854482e+00 +4.268788542106363e-02 3.189147920627875e+00 +8.366825542528471e-02 -4.291954104664910e+00 +1.639897806335580e-01 2.886949462470511e+00 +3.214199700417737e-01 -9.703156023409974e+00 +6.299831412818762e-01 2.938855034622975e+00 +1.234766956912478e+00 -1.084768938642083e+01 +2.420143235548455e+00 -4.762715528515400e+00 +4.743480741674971e+00 -1.530758645483002e+01 +9.297222253682943e+00 -4.530912631569663e+00 +1.822255561721856e+01 3.267492958897492e+00 +3.571620900974838e+01 -2.231320308335125e+01 +7.000376965910681e+01 1.553218514414039e+01 +1.372073885318493e+02 -2.306546233786503e+01 +2.689264815224247e+02 1.587280726421159e+01 +5.270959037839524e+02 -9.810048394012213e+00 +#BASIS SET: (17s) -> [1s] +Tb s +1.111200682555800e-02 -8.966318249586038e-01 +2.177953337809369e-02 1.053945099934936e+00 +4.268788542106363e-02 -2.061637864448130e+00 +8.366825542528471e-02 1.083682771772146e+00 +1.639897806335580e-01 -4.405916484072804e+00 +3.214199700417737e-01 1.025753282010555e-01 +6.299831412818762e-01 -9.194234363734722e+00 +1.234766956912478e+00 -1.034987159073353e+00 +2.420143235548455e+00 -1.090835434198380e+01 +4.743480741674971e+00 -1.025766266882420e+01 +9.297222253682943e+00 -1.062637014687061e+01 +1.822255561721856e+01 8.597536757588387e+00 +3.571620900974838e+01 -2.625054533779621e+01 +7.000376965910681e+01 1.805599416792393e+01 +1.372073885318493e+02 -2.494431035220623e+01 +2.689264815224247e+02 1.689833929203451e+01 +5.270959037839524e+02 -1.021142287348630e+01 +#BASIS SET: (26s) -> [1s] +Dy s +1.000000000000000e-04 -3.699918063153063e-02 +1.960000000000000e-04 2.373986363989182e-01 +3.841600000000000e-04 -8.495940527644983e-01 +7.529535999999996e-04 2.428561427135463e+00 +1.475789055999999e-03 -6.400460002217756e+00 +2.892546549759998e-03 9.960182332404173e+00 +5.669391237529597e-03 -1.017469556653896e+01 +1.111200682555800e-02 8.008915379024188e+00 +2.177953337809369e-02 -9.016167079726756e+00 +4.268788542106363e-02 8.261123340415452e+00 +8.366825542528471e-02 -8.024175282596843e+00 +1.639897806335580e-01 6.401949091286951e+00 +3.214199700417737e-01 -1.309130969510625e+01 +6.299831412818762e-01 7.348741674808480e+00 +1.234766956912478e+00 -1.675324833770719e+01 +2.420143235548455e+00 1.743766361039889e+00 +4.743480741674971e+00 -2.308248585687397e+01 +9.297222253682943e+00 8.698775189695880e-01 +1.822255561721856e+01 -3.811515371446148e+00 +3.571620900974838e+01 -1.099050229450222e+01 +7.000376965910681e+01 -7.714789829333313e-01 +1.372073885318493e+02 -4.991437545511872e+00 +2.689264815224247e+02 1.194389079988468e+00 +5.270959037839524e+02 -4.852316613541916e+00 +1.033107971416546e+03 2.884777464059880e+00 +2.024891623976431e+03 -2.493296443432200e+00 +#BASIS SET: (21s) -> [1s] +Ho s +7.529535999999996e-04 2.588172435353044e-01 +1.475789055999999e-03 -1.719396420288831e+00 +2.892546549759998e-03 2.427935190731660e+00 +5.669391237529597e-03 -1.993259930983186e+00 +1.111200682555800e-02 3.136797277256846e-01 +2.177953337809369e-02 -1.630405047908425e-01 +4.268788542106363e-02 -5.042719766497612e-01 +8.366825542528471e-02 3.441740125417709e-01 +1.639897806335580e-01 -2.893046129494905e+00 +3.214199700417737e-01 -1.905408166348934e+00 +6.299831412818762e-01 -3.681422196328640e+00 +1.234766956912478e+00 -8.176514312624931e+00 +2.420143235548455e+00 -5.539149239659309e+00 +4.743480741674971e+00 -1.585169520229101e+01 +9.297222253682943e+00 -9.904886402189732e+00 +1.822255561721856e+01 9.834417268633842e+00 +3.571620900974838e+01 -2.773921944200993e+01 +7.000376965910681e+01 1.910739466175437e+01 +1.372073885318493e+02 -2.635939477011561e+01 +2.689264815224247e+02 1.793643321469426e+01 +5.270959037839524e+02 -1.079214662584127e+01 +#BASIS SET: (19s) -> [1s] +Er s +2.892546549759998e-03 -1.272086740547280e+00 +5.669391237529597e-03 2.421214115977591e+00 +1.111200682555800e-02 -3.270577666593454e+00 +2.177953337809369e-02 3.538120922903545e+00 +4.268788542106363e-02 -3.767716443981044e+00 +8.366825542528471e-02 2.822822869788070e+00 +1.639897806335580e-01 -5.725236785394372e+00 +3.214199700417737e-01 3.338118964573368e+00 +6.299831412818762e-01 -1.106780766477459e+01 +1.234766956912478e+00 -1.256089732458349e+00 +2.420143235548455e+00 -1.136578112357529e+01 +4.743480741674971e+00 -1.116292016970692e+01 +9.297222253682943e+00 -1.590517021692358e+01 +1.822255561721856e+01 1.518520703306422e+01 +3.571620900974838e+01 -3.179782880702987e+01 +7.000376965910681e+01 2.183984285942279e+01 +1.372073885318493e+02 -2.835592523962259e+01 +2.689264815224247e+02 1.900633072189521e+01 +5.270959037839524e+02 -1.120451689701744e+01 +#BASIS SET: (17s) -> [1s] +Tm s +1.111200682555800e-02 -2.075267546199029e+00 +2.177953337809369e-02 3.593936577904969e+00 +4.268788542106363e-02 -5.388050294015557e+00 +8.366825542528471e-02 5.273977061733603e+00 +1.639897806335580e-01 -7.502584751695395e+00 +3.214199700417737e-01 3.259387116879225e+00 +6.299831412818762e-01 -8.516460593789816e+00 +1.234766956912478e+00 -3.913348350673914e+00 +2.420143235548455e+00 -9.614431567490101e+00 +4.743480741674971e+00 -1.178939910233021e+01 +9.297222253682943e+00 -1.756530469655991e+01 +1.822255561721856e+01 1.651012862473726e+01 +3.571620900974838e+01 -3.243349118530750e+01 +7.000376965910681e+01 2.206040003895760e+01 +1.372073885318493e+02 -2.885928200930357e+01 +2.689264815224247e+02 1.943986749649048e+01 +5.270959037839524e+02 -1.148007681933814e+01 +#BASIS SET: (17s) -> [1s] +Yb s +1.111200682555800e-02 -2.009081379452255e+00 +2.177953337809369e-02 1.826372204348445e+00 +4.268788542106363e-02 -2.564568206667900e+00 +8.366825542528471e-02 1.989267578348517e+00 +1.639897806335580e-01 -2.207304621115327e+00 +3.214199700417737e-01 -4.837013762444258e+00 +6.299831412818762e-01 -1.199803948402405e-01 +1.234766956912478e+00 -9.087172340601683e+00 +2.420143235548455e+00 -7.120097145438194e+00 +4.743480741674971e+00 -1.229198481142521e+01 +9.297222253682943e+00 -1.930048879981041e+01 +1.822255561721856e+01 1.757046326994896e+01 +3.571620900974838e+01 -3.271623520553112e+01 +7.000376965910681e+01 2.201269836723804e+01 +1.372073885318493e+02 -2.921489578485489e+01 +2.689264815224247e+02 1.981488284841180e+01 +5.270959037839524e+02 -1.174486181611428e+01 +#BASIS SET: (18s) -> [1s] +Lu s +5.669391237529597e-03 -1.111256900321166e+00 +1.111200682555800e-02 1.422985557594473e+00 +2.177953337809369e-02 -3.342970409505369e+00 +4.268788542106363e-02 2.980154754504838e+00 +8.366825542528471e-02 -5.310948193297918e+00 +1.639897806335580e-01 5.296797009130387e+00 +3.214199700417737e-01 -9.874507727359742e+00 +6.299831412818762e-01 1.594426338611811e+00 +1.234766956912478e+00 -7.251816344047256e+00 +2.420143235548455e+00 -1.026851499491022e+01 +4.743480741674971e+00 -8.431318920891499e+00 +9.297222253682943e+00 -2.413114803782082e+01 +1.822255561721856e+01 2.068188495418872e+01 +3.571620900974838e+01 -3.441960857313825e+01 +7.000376965910681e+01 2.294927649328019e+01 +1.372073885318493e+02 -3.016305273160106e+01 +2.689264815224247e+02 2.044759377802256e+01 +5.270959037839524e+02 -1.206797605243969e+01 +#BASIS SET: (17s) -> [1s] +Hf s +1.111200682555800e-02 -1.112602099339711e+00 +2.177953337809369e-02 1.589909003349021e+00 +4.268788542106363e-02 -2.712799926288426e+00 +8.366825542528471e-02 1.988367443904281e+00 +1.639897806335580e-01 -5.234694685786963e+00 +3.214199700417737e-01 1.394292421638966e+00 +6.299831412818762e-01 -8.473875023424625e+00 +1.234766956912478e+00 -2.301626682281494e+00 +2.420143235548455e+00 -1.125995799154043e+01 +4.743480741674971e+00 -7.308662287890911e+00 +9.297222253682943e+00 -2.646364459395409e+01 +1.822255561721856e+01 2.145344901084900e+01 +3.571620900974838e+01 -3.417961519211531e+01 +7.000376965910681e+01 2.251032546907663e+01 +1.372073885318493e+02 -3.031176043301821e+01 +2.689264815224247e+02 2.073706427589059e+01 +5.270959037839524e+02 -1.231416870906833e+01 +#BASIS SET: (16s) -> [1s] +Ta s +2.177953337809369e-02 -1.643301260448425e+00 +4.268788542106363e-02 2.637219189105963e+00 +8.366825542528471e-02 -4.618848055746639e+00 +1.639897806335580e-01 2.386034353490686e+00 +3.214199700417737e-01 -6.661585985362763e+00 +6.299831412818762e-01 -1.786379255820066e+00 +1.234766956912478e+00 -8.609911476145498e+00 +2.420143235548455e+00 -5.375464136246592e+00 +4.743480741674971e+00 -1.123924457933754e+01 +9.297222253682943e+00 -2.426005035545677e+01 +1.822255561721856e+01 1.823250980395824e+01 +3.571620900974838e+01 -3.082505836244673e+01 +7.000376965910681e+01 1.992382913734764e+01 +1.372073885318493e+02 -2.921075047273189e+01 +2.689264815224247e+02 2.049789708526805e+01 +5.270959037839524e+02 -1.244689562942767e+01 +#BASIS SET: (17s) -> [1s] +W s +2.177953337809369e-02 -2.118398681399412e+00 +4.268788542106363e-02 3.816525800619274e+00 +8.366825542528471e-02 -6.288813097402453e+00 +1.639897806335580e-01 4.127201564610004e+00 +3.214199700417737e-01 -9.070450801402330e+00 +6.299831412818762e-01 1.492176346480846e+00 +1.234766956912478e+00 -1.297010948881507e+01 +2.420143235548455e+00 1.512741446495056e-01 +4.743480741674971e+00 -1.793358114361763e+01 +9.297222253682943e+00 -1.439840850234032e+01 +1.822255561721856e+01 8.599174022674561e-01 +3.571620900974838e+01 -5.081548534333706e+00 +7.000376965910681e+01 -1.442776833474636e+01 +1.372073885318493e+02 1.082367956638336e+01 +2.689264815224247e+02 -1.727153169736266e+01 +5.270959037839524e+02 1.138557018339634e+01 +1.033107971416546e+03 -7.095734726986848e+00 +#BASIS SET: (17s) -> [1s] +Re s +1.111200682555800e-02 -9.427029447688255e-01 +2.177953337809369e-02 -5.955321155488491e-02 +4.268788542106363e-02 -6.835330398753285e-01 +8.366825542528471e-02 2.680472256615758e-01 +1.639897806335580e-01 -2.061694569885731e+00 +3.214199700417737e-01 -2.036225683987141e+00 +6.299831412818762e-01 -8.548756275326014e+00 +1.234766956912478e+00 -7.500824332237244e-01 +2.420143235548455e+00 -1.359652968496084e+01 +4.743480741674971e+00 -1.712933272123337e+00 +9.297222253682943e+00 -3.344035017490387e+01 +1.822255561721856e+01 2.228777827322483e+01 +3.571620900974838e+01 -3.240076662600040e+01 +7.000376965910681e+01 2.084499305859208e+01 +1.372073885318493e+02 -3.073763220384717e+01 +2.689264815224247e+02 2.164797380007803e+01 +5.270959037839524e+02 -1.307803223709925e+01 +#BASIS SET: (17s) -> [1s] +Os s +1.111200682555800e-02 -1.050015463551972e+00 +2.177953337809369e-02 7.488444717600942e-01 +4.268788542106363e-02 -2.534344915300608e+00 +8.366825542528471e-02 2.839698520489037e+00 +1.639897806335580e-01 -5.312013151124120e+00 +3.214199700417737e-01 1.343187313526869e+00 +6.299831412818762e-01 -1.092646013572812e+01 +1.234766956912478e+00 -5.045365318655968e-01 +2.420143235548455e+00 -1.327731340378523e+01 +4.743480741674971e+00 -1.085987225174904e+00 +9.297222253682943e+00 -3.405220905691385e+01 +1.822255561721856e+01 2.081878664344549e+01 +3.571620900974838e+01 -3.056616438925266e+01 +7.000376965910681e+01 1.957317001372576e+01 +1.372073885318493e+02 -3.052093264833093e+01 +2.689264815224247e+02 2.181109158508480e+01 +5.270959037839524e+02 -1.330480162700405e+01 +#BASIS SET: (16s) -> [1s] +Ir s +2.177953337809369e-02 -1.481523777461916e+00 +4.268788542106363e-02 1.711421129424707e+00 +8.366825542528471e-02 -3.351651976794528e+00 +1.639897806335580e-01 2.287929197453195e+00 +3.214199700417737e-01 -5.863052232918562e+00 +6.299831412818762e-01 -4.329587753978558e+00 +1.234766956912478e+00 -9.668804003624246e+00 +2.420143235548455e+00 -4.681009995518252e+00 +4.743480741674971e+00 -6.920605624793097e+00 +9.297222253682943e+00 -2.924199591064826e+01 +1.822255561721856e+01 1.484261363558471e+01 +3.571620900974838e+01 -2.531840609898791e+01 +7.000376965910681e+01 1.597966506006196e+01 +1.372073885318493e+02 -2.895974464248866e+01 +2.689264815224247e+02 2.139932740177028e+01 +5.270959037839524e+02 -1.340457440708087e+01 +#BASIS SET: (16s) -> [1s] +Pt s +2.177953337809369e-02 -8.215603719486353e-01 +4.268788542106363e-02 9.639250366672059e-02 +8.366825542528471e-02 -1.170398162648780e+00 +1.639897806335580e-01 1.470195360889193e-02 +3.214199700417737e-01 -3.313401429855730e+00 +6.299831412818762e-01 -6.668549781257752e+00 +1.234766956912478e+00 -8.834146911627613e+00 +2.420143235548455e+00 -6.040942977182567e+00 +4.743480741674971e+00 -4.448045207420364e+00 +9.297222253682943e+00 -3.101125701889396e+01 +1.822255561721856e+01 1.425596719095483e+01 +3.571620900974838e+01 -2.446302059013397e+01 +7.000376965910681e+01 1.562311328947544e+01 +1.372073885318493e+02 -2.936637769732624e+01 +2.689264815224247e+02 2.184345784643665e+01 +5.270959037839524e+02 -1.369593263584693e+01 +#BASIS SET: (17s) -> [1s] +Au s +2.177953337809369e-02 -2.223106366058346e+00 +4.268788542106363e-02 3.788759244605899e+00 +8.366825542528471e-02 -6.438291231170297e+00 +1.639897806335580e-01 5.682321127504110e+00 +3.214199700417737e-01 -9.808620888739824e+00 +6.299831412818762e-01 1.546653222292662e+00 +1.234766956912478e+00 -1.807414864748716e+01 +2.420143235548455e+00 2.975595489144325e+00 +4.743480741674971e+00 -1.476127413660288e+01 +9.297222253682943e+00 -1.588222673535347e+01 +1.822255561721856e+01 -9.089758425951004e+00 +3.571620900974838e+01 7.250008851289749e+00 +7.000376965910681e+01 -2.515676052123308e+01 +1.372073885318493e+02 1.770025069266558e+01 +2.689264815224247e+02 -2.242635157331824e+01 +5.270959037839524e+02 1.420993980765343e+01 +1.033107971416546e+03 -8.292989909241442e+00 +#BASIS SET: (17s) -> [1s] +Hg s +2.177953337809369e-02 -2.862733485642821e+00 +4.268788542106363e-02 4.439925104146823e+00 +8.366825542528471e-02 -6.585235074162483e+00 +1.639897806335580e-01 6.235058523714542e+00 +3.214199700417737e-01 -1.152684141322970e+01 +6.299831412818762e-01 3.545705184340477e+00 +1.234766956912478e+00 -1.901626300066710e+01 +2.420143235548455e+00 2.093893751502037e+00 +4.743480741674971e+00 -1.323856161534786e+01 +9.297222253682943e+00 -1.613918179273605e+01 +1.822255561721856e+01 -1.102365566790104e+01 +3.571620900974838e+01 9.092854931950569e+00 +7.000376965910681e+01 -2.644688675552607e+01 +1.372073885318493e+02 1.835245618969202e+01 +2.689264815224247e+02 -2.301043517887592e+01 +5.270959037839524e+02 1.458198766596615e+01 +1.033107971416546e+03 -8.492087367223576e+00 +#BASIS SET: (18s) -> [1s] +Tl s +5.669391237529597e-03 -6.683653722687239e-01 +1.111200682555800e-02 6.757472147845078e-01 +2.177953337809369e-02 -1.679120843986993e+00 +4.268788542106363e-02 9.200177795460149e-01 +8.366825542528471e-02 -2.225945938150289e+00 +1.639897806335580e-01 5.385053720438009e-01 +3.214199700417737e-01 -4.273235573655256e+00 +6.299831412818762e-01 -4.529588063473057e+00 +1.234766956912478e+00 -9.256176848299219e+00 +2.420143235548455e+00 -1.041217102746305e+01 +4.743480741674971e+00 1.736595217982540e+00 +9.297222253682943e+00 -3.354565785921295e+01 +1.822255561721856e+01 1.054258928453783e+01 +3.571620900974838e+01 -2.150926161091775e+01 +7.000376965910681e+01 1.490955107938498e+01 +1.372073885318493e+02 -3.097113763546804e+01 +2.689264815224247e+02 2.337122681012261e+01 +5.270959037839524e+02 -1.462357198550696e+01 +#BASIS SET: (16s) -> [1s] +Pb s +2.177953337809369e-02 -1.497850464621024e+00 +4.268788542106363e-02 1.413205203980397e+00 +8.366825542528471e-02 -2.948329334882146e+00 +1.639897806335580e-01 -7.836353017337387e-01 +3.214199700417737e-01 -3.985954123083502e+00 +6.299831412818762e-01 -2.148619307845365e+00 +1.234766956912478e+00 -1.157561890536454e+01 +2.420143235548455e+00 -9.412887614220381e+00 +4.743480741674971e+00 7.861812328919768e-01 +9.297222253682943e+00 -3.129922001017258e+01 +1.822255561721856e+01 6.940702277235687e+00 +3.571620900974838e+01 -1.905495279235765e+01 +7.000376965910681e+01 1.381009005475789e+01 +1.372073885318493e+02 -3.103301733545959e+01 +2.689264815224247e+02 2.368133825180121e+01 +5.270959037839524e+02 -1.489143183092665e+01 +#BASIS SET: (16s) -> [1s] +Bi s +2.177953337809369e-02 -1.492256212700340e+00 +4.268788542106363e-02 5.877251257006719e-01 +8.366825542528471e-02 -1.937719178094994e+00 +1.639897806335580e-01 -6.662144217989407e-01 +3.214199700417737e-01 -4.074036280042492e+00 +6.299831412818762e-01 -4.170896767987870e+00 +1.234766956912478e+00 -8.423529559979215e+00 +2.420143235548455e+00 -1.233799174148589e+01 +4.743480741674971e+00 2.498995818430558e+00 +9.297222253682943e+00 -3.116839731624350e+01 +1.822255561721856e+01 5.286023871973157e+00 +3.571620900974838e+01 -1.832582380715758e+01 +7.000376965910681e+01 1.400736614689231e+01 +1.372073885318493e+02 -3.187571897311136e+01 +2.689264815224247e+02 2.432642625318840e+01 +5.270959037839524e+02 -1.523395295758291e+01 +#BASIS SET: (18s) -> [1s] +Po s +1.111200682555800e-02 -7.827540693641737e-01 +2.177953337809369e-02 4.557045987545507e-01 +4.268788542106363e-02 -2.203057499327087e+00 +8.366825542528471e-02 1.497004572899641e+00 +1.639897806335580e-01 -4.496554678656139e+00 +3.214199700417737e-01 -1.185073914008171e+00 +6.299831412818762e-01 -6.022945520489884e+00 +1.234766956912478e+00 -7.952718060194456e+00 +2.420143235548455e+00 -1.019744747555524e+01 +4.743480741674971e+00 -4.247537973569706e+00 +9.297222253682943e+00 -1.758148649739451e+01 +1.822255561721856e+01 -1.700987933378201e+01 +3.571620900974838e+01 1.296731074852869e+01 +7.000376965910681e+01 -2.798368807457155e+01 +1.372073885318493e+02 1.826123780169291e+01 +2.689264815224247e+02 -2.378053557052044e+01 +5.270959037839524e+02 1.541625533835031e+01 +1.033107971416546e+03 -9.153834392792746e+00 +#BASIS SET: (17s) -> [1s] +At s +2.177953337809369e-02 -1.585640642617363e+00 +4.268788542106363e-02 8.335289270617068e-01 +8.366825542528471e-02 -2.566110006533563e+00 +1.639897806335580e-01 3.373182844370604e-01 +3.214199700417737e-01 -7.019824992865324e+00 +6.299831412818762e-01 -3.861212804913521e-01 +1.234766956912478e+00 -1.308150998502970e+01 +2.420143235548455e+00 -5.279042884707451e+00 +4.743480741674971e+00 -9.485548824071884e+00 +9.297222253682943e+00 -1.166840811073780e+01 +1.822255561721856e+01 -2.310914050042629e+01 +3.571620900974838e+01 1.714389277249575e+01 +7.000376965910681e+01 -3.068406607955694e+01 +1.372073885318493e+02 1.987845177948475e+01 +2.689264815224247e+02 -2.497087215632200e+01 +5.270959037839524e+02 1.606120779179037e+01 +1.033107971416546e+03 -9.418114091909956e+00 +#BASIS SET: (17s) -> [1s] +Rn s +2.177953337809369e-02 -9.010112127871253e-01 +4.268788542106363e-02 -6.717963756527752e-01 +8.366825542528471e-02 -9.726466927677393e-01 +1.639897806335580e-01 -7.804148010909557e-01 +3.214199700417737e-01 -6.991981878876686e+00 +6.299831412818762e-01 -6.872555837035179e-01 +1.234766956912478e+00 -1.248670750111341e+01 +2.420143235548455e+00 -5.699661180377007e+00 +4.743480741674971e+00 -9.748828716576099e+00 +9.297222253682943e+00 -1.038899650424719e+01 +1.822255561721856e+01 -2.492238756269217e+01 +3.571620900974838e+01 1.758746709674597e+01 +7.000376965910681e+01 -3.043163277208805e+01 +1.372073885318493e+02 1.941717496514320e+01 +2.689264815224247e+02 -2.493597174063325e+01 +5.270959037839524e+02 1.618287456408143e+01 +1.033107971416546e+03 -9.568224103364628e+00 +#BASIS SET: (19s) -> [1s] +Fr s +5.669391237529597e-03 -9.049353507293745e-01 +1.111200682555800e-02 4.535935984079060e-01 +2.177953337809369e-02 -7.734386483134585e-01 +4.268788542106363e-02 3.257889475207776e-04 +8.366825542528471e-02 -1.791314246711408e+00 +1.639897806335580e-01 -2.414091581260436e+00 +3.214199700417737e-01 -2.800323494535405e+00 +6.299831412818762e-01 -5.080160063051153e+00 +1.234766956912478e+00 -8.921106780442642e+00 +2.420143235548455e+00 -8.569825278827921e+00 +4.743480741674971e+00 -7.801054614246823e+00 +9.297222253682943e+00 -1.115610307955649e+01 +1.822255561721856e+01 -2.479515109676868e+01 +3.571620900974838e+01 1.632541101379320e+01 +7.000376965910681e+01 -2.885951706022024e+01 +1.372073885318493e+02 1.805688271275721e+01 +2.689264815224247e+02 -2.438516742736101e+01 +5.270959037839524e+02 1.608767703175545e+01 +1.033107971416546e+03 -9.671701423636250e+00 +#BASIS SET: (19s) -> [1s] +Ra s +5.669391237529597e-03 -6.609776464190986e-01 +1.111200682555800e-02 -1.104675314217729e+00 +2.177953337809369e-02 7.103434752070825e-01 +4.268788542106363e-02 -1.340850665084872e+00 +8.366825542528471e-02 1.653799034691474e+00 +1.639897806335580e-01 -7.783811617257015e+00 +3.214199700417737e-01 6.369658547337167e-01 +6.299831412818762e-01 -4.938371473297593e+00 +1.234766956912478e+00 -1.085992869711481e+01 +2.420143235548455e+00 -6.398133945185691e+00 +4.743480741674971e+00 -1.014296466339147e+01 +9.297222253682943e+00 -8.395057089859620e+00 +1.822255561721856e+01 -2.744526936672628e+01 +3.571620900974838e+01 1.725174764031544e+01 +7.000376965910681e+01 -2.901798915513791e+01 +1.372073885318493e+02 1.796561131114140e+01 +2.689264815224247e+02 -2.461100574955344e+01 +5.270959037839524e+02 1.633178124763072e+01 +1.033107971416546e+03 -9.851213180474303e+00 +#BASIS SET: (19s) -> [1s] +Ac s +5.669391237529597e-03 -7.418099547737711e-01 +1.111200682555800e-02 -1.754829726560274e-01 +2.177953337809369e-02 -1.307933250111091e+00 +4.268788542106363e-02 1.000030818369851e+00 +8.366825542528471e-02 -1.728697281563655e+00 +1.639897806335580e-01 -2.770838241631282e+00 +3.214199700417737e-01 -6.250009670708096e+00 +6.299831412818762e-01 1.687499101753929e+00 +1.234766956912478e+00 -1.568871520875837e+01 +2.420143235548455e+00 -2.997714491735678e+00 +4.743480741674971e+00 -1.312245197256561e+01 +9.297222253682943e+00 -5.322433851310052e+00 +1.822255561721856e+01 -3.012239310913719e+01 +3.571620900974838e+01 1.809691865509376e+01 +7.000376965910681e+01 -2.913407131237909e+01 +1.372073885318493e+02 1.788423909340054e+01 +2.689264815224247e+02 -2.486247162055224e+01 +5.270959037839524e+02 1.659142771153711e+01 +1.033107971416546e+03 -1.003509244227303e+01 +#BASIS SET: (18s) -> [1s] +Th s +1.111200682555800e-02 -9.298928463825860e-01 +2.177953337809369e-02 8.398868545568803e-01 +4.268788542106363e-02 -1.849807619864123e+00 +8.366825542528471e-02 -3.826497172603922e-01 +1.639897806335580e-01 -3.420107543669474e+00 +3.214199700417737e-01 -5.131852164226075e+00 +6.299831412818762e-01 -3.725378531071328e+00 +1.234766956912478e+00 -7.428407744970173e+00 +2.420143235548455e+00 -1.090476497392956e+01 +4.743480741674971e+00 -6.853250515341642e+00 +9.297222253682943e+00 -1.003428393063950e+01 +1.822255561721856e+01 -2.610574820524198e+01 +3.571620900974838e+01 1.338282527314732e+01 +7.000376965910681e+01 -2.495358142675832e+01 +1.372073885318493e+02 1.480291743576527e+01 +2.689264815224247e+02 -2.334885677701095e+01 +5.270959037839524e+02 1.609598719491623e+01 +1.033107971416546e+03 -1.005303476201959e+01 +#BASIS SET: (20s) -> [1s] +Pa s +2.892546549759998e-03 -4.303354937991912e-01 +5.669391237529597e-03 7.887152982461885e-01 +1.111200682555800e-02 -2.176550874157329e+00 +2.177953337809369e-02 2.045625426995684e+00 +4.268788542106363e-02 -2.656156615506916e+00 +8.366825542528471e-02 6.532528292300412e-01 +1.639897806335580e-01 -3.923683818706195e+00 +3.214199700417737e-01 -2.048205790837528e+00 +6.299831412818762e-01 -7.357740709790960e+00 +1.234766956912478e+00 -6.973509158124216e+00 +2.420143235548455e+00 -1.228539482096676e+01 +4.743480741674971e+00 -6.047042335849255e+00 +9.297222253682943e+00 -8.569489174289629e+00 +1.822255561721856e+01 -2.822024710243568e+01 +3.571620900974838e+01 1.399362333770841e+01 +7.000376965910681e+01 -2.513995368406177e+01 +1.372073885318493e+02 1.491733989957720e+01 +2.689264815224247e+02 -2.373638082016259e+01 +5.270959037839524e+02 1.641799367917702e+01 +1.033107971416546e+03 -1.025186007224653e+01 +#BASIS SET: (20s) -> [1s] +U s +2.892546549759998e-03 -7.747145242761349e-01 +5.669391237529597e-03 1.329074779183884e+00 +1.111200682555800e-02 -1.732296683845561e+00 +2.177953337809369e-02 1.616563135368779e+00 +4.268788542106363e-02 -2.373040286467585e+00 +8.366825542528471e-02 2.535471114679240e-01 +1.639897806335580e-01 -2.439801451648236e+00 +3.214199700417737e-01 -3.553871947282460e+00 +6.299831412818762e-01 -7.775994858180638e+00 +1.234766956912478e+00 -6.109061220777221e+00 +2.420143235548455e+00 -1.421604330139235e+01 +4.743480741674971e+00 -5.069115607300773e+00 +9.297222253682943e+00 -7.963341502938420e+00 +1.822255561721856e+01 -2.887716199271381e+01 +3.571620900974838e+01 1.314551141252741e+01 +7.000376965910681e+01 -2.414930772501975e+01 +1.372073885318493e+02 1.421112976409495e+01 +2.689264815224247e+02 -2.365837206086144e+01 +5.270959037839524e+02 1.654490421572700e+01 +1.033107971416546e+03 -1.040860725566557e+01 +#BASIS SET: (18s) -> [1s] +Np s +1.111200682555800e-02 -6.027158766170686e-01 +2.177953337809369e-02 7.563919888639248e-01 +4.268788542106363e-02 -1.942267183857211e+00 +8.366825542528471e-02 3.661201732793415e-01 +1.639897806335580e-01 -2.289485658561716e+00 +3.214199700417737e-01 -3.552965488757764e+00 +6.299831412818762e-01 -8.107277995295590e+00 +1.234766956912478e+00 -6.174658787655062e+00 +2.420143235548455e+00 -1.500556100712129e+01 +4.743480741674971e+00 -5.296310161022120e+00 +9.297222253682943e+00 -6.459570625564083e+00 +1.822255561721856e+01 -3.005562581596314e+01 +3.571620900974838e+01 1.268124639696907e+01 +7.000376965910681e+01 -2.352323053189320e+01 +1.372073885318493e+02 1.381087681092322e+01 +2.689264815224247e+02 -2.378086036798777e+01 +5.270959037839524e+02 1.676248852442950e+01 +1.033107971416546e+03 -1.058659439416904e+01 +#BASIS SET: (19s) -> [1s] +Pu s +5.669391237529597e-03 -5.923359406407940e-01 +1.111200682555800e-02 -1.711959515448598e-01 +2.177953337809369e-02 1.202917417886056e-01 +4.268788542106363e-02 -9.808466919421335e-01 +8.366825542528471e-02 1.757123737115762e-02 +1.639897806335580e-01 -3.594289513137483e+00 +3.214199700417737e-01 -1.426157100388082e+00 +6.299831412818762e-01 -8.047247586786398e+00 +1.234766956912478e+00 -7.920910091313999e+00 +2.420143235548455e+00 -1.342992323404178e+01 +4.743480741674971e+00 -7.821320117684081e+00 +9.297222253682943e+00 -3.359152300516143e+00 +1.822255561721856e+01 -3.228507468360476e+01 +3.571620900974838e+01 1.307508332282305e+01 +7.000376965910681e+01 -2.364671208569780e+01 +1.372073885318493e+02 1.399483466055244e+01 +2.689264815224247e+02 -2.427612920827232e+01 +5.270959037839524e+02 1.714650234021246e+01 +1.033107971416546e+03 -1.080298879717708e+01 +#BASIS SET: (18s) -> [1s] +Am s +1.111200682555800e-02 -3.097643688830374e+00 +2.177953337809369e-02 4.523819103408982e+00 +4.268788542106363e-02 -6.733905943462560e+00 +8.366825542528471e-02 7.684899957701418e+00 +1.639897806335580e-01 -1.106679525835352e+01 +3.214199700417737e-01 2.285898635451304e+00 +6.299831412818762e-01 -7.316951614640857e+00 +1.234766956912478e+00 -9.698146215116140e+00 +2.420143235548455e+00 -1.242661194705579e+01 +4.743480741674971e+00 -9.518254954207805e+00 +9.297222253682943e+00 -1.343494483880932e+00 +1.822255561721856e+01 -3.335183332028100e+01 +3.571620900974838e+01 1.250558926624944e+01 +7.000376965910681e+01 -2.309392436483176e+01 +1.372073885318493e+02 1.374517658771947e+01 +2.689264815224247e+02 -2.452945730549982e+01 +5.270959037839524e+02 1.742988733202219e+01 +1.033107971416546e+03 -1.099825178639225e+01 +#BASIS SET: (19s) -> [1s] +Cm s +5.669391237529597e-03 -4.868470235795712e-01 +1.111200682555800e-02 -5.404405066713025e-01 +2.177953337809369e-02 -8.759178040381812e-01 +4.268788542106363e-02 6.977089871215867e-01 +8.366825542528471e-02 -1.550734546264721e+00 +1.639897806335580e-01 -9.142387459287420e-01 +3.214199700417737e-01 -7.695432458480354e+00 +6.299831412818762e-01 7.664599928539246e-01 +1.234766956912478e+00 -1.513222834843327e+01 +2.420143235548455e+00 -8.418580508674495e+00 +4.743480741674971e+00 -1.403690791991539e+01 +9.297222253682943e+00 2.963120934902690e+00 +1.822255561721856e+01 -3.619670291896909e+01 +3.571620900974838e+01 1.341782479127869e+01 +7.000376965910681e+01 -2.377897806721739e+01 +1.372073885318493e+02 1.442077518673614e+01 +2.689264815224247e+02 -2.535044422606006e+01 +5.270959037839524e+02 1.796012891735882e+01 +1.033107971416546e+03 -1.124856573601926e+01 +#BASIS SET: (18s) -> [1s] +Bk s +1.111200682555800e-02 -2.865375375462648e+00 +2.177953337809369e-02 3.926992408135789e+00 +4.268788542106363e-02 -5.816062264433185e+00 +8.366825542528471e-02 6.418859034675734e+00 +1.639897806335580e-01 -9.108706058876123e+00 +3.214199700417737e-01 3.518077436510794e-01 +6.299831412818762e-01 -5.829751471017516e+00 +1.234766956912478e+00 -1.088447724983416e+01 +2.420143235548455e+00 -1.195200877854950e+01 +4.743480741674971e+00 -1.321245201023703e+01 +9.297222253682943e+00 3.761390193918487e+00 +1.822255561721856e+01 -3.634385459721670e+01 +3.571620900974838e+01 1.217036457988434e+01 +7.000376965910681e+01 -2.288232462131418e+01 +1.372073885318493e+02 1.401021647267044e+01 +2.689264815224247e+02 -2.551406199159101e+01 +5.270959037839524e+02 1.820551099110162e+01 +1.033107971416546e+03 -1.143606700550542e+01 +#BASIS SET: (19s) -> [1s] +Cf s +5.669391237529597e-03 -5.638055074410318e-01 +1.111200682555800e-02 -3.314587609547743e-01 +2.177953337809369e-02 1.607012420454339e-01 +4.268788542106363e-02 -6.529201997673226e-01 +8.366825542528471e-02 1.219027348161035e-01 +1.639897806335580e-01 -3.708631314104423e+00 +3.214199700417737e-01 -9.922360918426421e-01 +6.299831412818762e-01 -7.982843469391810e+00 +1.234766956912478e+00 -8.905040769954212e+00 +2.420143235548455e+00 -1.334273181058234e+01 +4.743480741674971e+00 -1.461109794711228e+01 +9.297222253682943e+00 6.352543284767307e+00 +1.822255561721856e+01 -3.779880237695761e+01 +3.571620900974838e+01 1.199755068751983e+01 +7.000376965910681e+01 -2.290154810203239e+01 +1.372073885318493e+02 1.428561156988144e+01 +2.689264815224247e+02 -2.609495102963410e+01 +5.270959037839524e+02 1.863151888386346e+01 +1.033107971416546e+03 -1.166376102311864e+01 +#BASIS SET: (18s) -> [1s] +Es s +1.111200682555800e-02 -5.891333977750719e-01 +2.177953337809369e-02 9.461652379575298e-01 +4.268788542106363e-02 -1.897463227816843e+00 +8.366825542528471e-02 3.428371509444332e-01 +1.639897806335580e-01 -2.326674887410263e+00 +3.214199700417737e-01 -1.321915196782356e+00 +6.299831412818762e-01 -1.054910277063391e+01 +1.234766956912478e+00 -5.367796703212662e+00 +2.420143235548455e+00 -1.711180374817923e+01 +4.743480741674971e+00 -1.350728825165424e+01 +9.297222253682943e+00 6.386164470051881e+00 +1.822255561721856e+01 -3.682220279372996e+01 +3.571620900974838e+01 9.821322881092783e+00 +7.000376965910681e+01 -2.142957774992101e+01 +1.372073885318493e+02 1.353093850146979e+01 +2.689264815224247e+02 -2.606581966963131e+01 +5.270959037839524e+02 1.879566534800688e+01 +1.033107971416546e+03 -1.183431519277644e+01 +#BASIS SET: (17s) -> [1s] +Fm s +2.177953337809369e-02 -6.745390652213246e-01 +4.268788542106363e-02 5.319072357378900e-01 +8.366825542528471e-02 -2.795758437365294e+00 +1.639897806335580e-01 1.495227232575417e+00 +3.214199700417737e-01 -5.056151341646910e+00 +6.299831412818762e-01 -6.728453058749437e+00 +1.234766956912478e+00 -9.123947560787201e+00 +2.420143235548455e+00 -1.382384353876114e+01 +4.743480741674971e+00 -1.839323494583368e+01 +9.297222253682943e+00 1.101350556313992e+01 +1.822255561721856e+01 -3.947484817355871e+01 +3.571620900974838e+01 1.068427317589521e+01 +7.000376965910681e+01 -2.241527084261179e+01 +1.372073885318493e+02 1.455352161824703e+01 +2.689264815224247e+02 -2.710700306668878e+01 +5.270959037839524e+02 1.942268694937229e+01 +1.033107971416546e+03 -1.210807174374349e+01 +#BASIS SET: (19s) -> [1s] +Md s +5.669391237529597e-03 -4.966458467201278e-01 +1.111200682555800e-02 -3.286206530647178e-01 +2.177953337809369e-02 3.122100784348731e-01 +4.268788542106363e-02 -9.907041115293396e-01 +8.366825542528471e-02 1.729696697802865e-01 +1.639897806335580e-01 -3.064263089385349e+00 +3.214199700417737e-01 -1.354272019525524e+00 +6.299831412818762e-01 -6.595116499054711e+00 +1.234766956912478e+00 -1.105630834726617e+01 +2.420143235548455e+00 -1.148283587914193e+01 +4.743480741674971e+00 -2.205247733485885e+01 +9.297222253682943e+00 1.385336030262988e+01 +1.822255561721856e+01 -4.037057800334878e+01 +3.571620900974838e+01 1.019471216341481e+01 +7.000376965910681e+01 -2.243755566375330e+01 +1.372073885318493e+02 1.492790234088898e+01 +2.689264815224247e+02 -2.777531688497402e+01 +5.270959037839524e+02 1.989183466543909e+01 +1.033107971416546e+03 -1.234829488796510e+01 +#BASIS SET: (18s) -> [1s] +No s +1.111200682555800e-02 -2.562327903906805e+00 +2.177953337809369e-02 3.148097679325247e+00 +4.268788542106363e-02 -4.535494620007739e+00 +8.366825542528471e-02 4.556646459701369e+00 +1.639897806335580e-01 -5.732067410544914e+00 +3.214199700417737e-01 -3.128131917585051e+00 +6.299831412818762e-01 -1.469511281349696e+00 +1.234766956912478e+00 -1.533482826589898e+01 +2.420143235548455e+00 -8.472719711659010e+00 +4.743480741674971e+00 -2.542581175809028e+01 +9.297222253682943e+00 1.583235777798109e+01 +1.822255561721856e+01 -4.032028293528128e+01 +3.571620900974838e+01 8.980225399252959e+00 +7.000376965910681e+01 -2.196551027835812e+01 +1.372073885318493e+02 1.497167128068395e+01 +2.689264815224247e+02 -2.824860798905138e+01 +5.270959037839524e+02 2.027681683580158e+01 +1.033107971416546e+03 -1.257052136101294e+01 +#BASIS SET: (19s) -> [1s] +Lr s +5.669391237529597e-03 -1.211295226274331e+00 +1.111200682555800e-02 1.505637007463065e+00 +2.177953337809369e-02 -3.598538076605109e+00 +4.268788542106363e-02 3.275135800504358e+00 +8.366825542528471e-02 -5.817219881391793e+00 +1.639897806335580e-01 6.411204687523423e+00 +3.214199700417737e-01 -1.448507051799970e+01 +6.299831412818762e-01 7.613146173418500e+00 +1.234766956912478e+00 -2.053981869525160e+01 +2.420143235548455e+00 -5.313271041959524e+00 +4.743480741674971e+00 -2.866799433797132e+01 +9.297222253682943e+00 1.745548494195100e+01 +1.822255561721856e+01 -3.995053253322840e+01 +3.571620900974838e+01 7.643531463574618e+00 +7.000376965910681e+01 -2.150010807067156e+01 +1.372073885318493e+02 1.504890404129401e+01 +2.689264815224247e+02 -2.874584604194388e+01 +5.270959037839524e+02 2.067232040874660e+01 +1.033107971416546e+03 -1.279567010117836e+01 +#BASIS SET: (18s) -> [1s] +Rf s +1.111200682555800e-02 -9.183556490023506e-01 +2.177953337809369e-02 1.043555888873584e+00 +4.268788542106363e-02 -1.954030304581238e+00 +8.366825542528471e-02 7.684354505754527e-01 +1.639897806335580e-01 -4.030806398657660e+00 +3.214199700417737e-01 -1.252932431818408e+00 +6.299831412818762e-01 -7.673803286768816e+00 +1.234766956912478e+00 -8.499880532406678e+00 +2.420143235548455e+00 -1.169981972704409e+01 +4.743480741674971e+00 -2.580101706250571e+01 +9.297222253682943e+00 1.408215762715554e+01 +1.822255561721856e+01 -3.540552450291580e+01 +3.571620900974838e+01 3.038401144265663e+00 +7.000376965910681e+01 -1.860282251168974e+01 +1.372073885318493e+02 1.344298088946380e+01 +2.689264815224247e+02 -2.824940170533955e+01 +5.270959037839524e+02 2.063811064208858e+01 +1.033107971416546e+03 -1.292524752969258e+01 +#BASIS SET: (17s) -> [1s] +Db s +2.177953337809369e-02 -1.548976326186676e+00 +4.268788542106363e-02 2.275641967542470e+00 +8.366825542528471e-02 -4.489908279851079e+00 +1.639897806335580e-01 2.148587442934513e+00 +3.214199700417737e-01 -8.061700131744146e+00 +6.299831412818762e-01 -2.077075835317373e+00 +1.234766956912478e+00 -1.361903039366007e+01 +2.420143235548455e+00 -5.894809454679489e+00 +4.743480741674971e+00 -3.171297904103994e+01 +9.297222253682943e+00 1.757063820213079e+01 +1.822255561721856e+01 -3.659750148653984e+01 +3.571620900974838e+01 3.275496244430542e+00 +7.000376965910681e+01 -1.955945435166359e+01 +1.372073885318493e+02 1.457954128086567e+01 +2.689264815224247e+02 -2.938289213553071e+01 +5.270959037839524e+02 2.130480756051838e+01 +1.033107971416546e+03 -1.321038526220946e+01 +#BASIS SET: (18s) -> [1s] +Sg s +1.111200682555800e-02 -6.775332504941360e-01 +2.177953337809369e-02 2.179312683578019e-01 +4.268788542106363e-02 -6.385374820438301e-01 +8.366825542528471e-02 -4.703897007120759e-01 +1.639897806335580e-01 -3.145002320303320e+00 +3.214199700417737e-01 -2.719048737026242e+00 +6.299831412818762e-01 -6.523536682208942e+00 +1.234766956912478e+00 -1.009148898527928e+01 +2.420143235548455e+00 -8.259423639814486e+00 +4.743480741674971e+00 -2.999767864411115e+01 +9.297222253682943e+00 1.431740106421057e+01 +1.822255561721856e+01 -3.219788229413098e+01 +3.571620900974838e+01 -8.937135681626387e-01 +7.000376965910681e+01 -1.717504293331876e+01 +1.372073885318493e+02 1.336162125691772e+01 +2.689264815224247e+02 -2.911113783938345e+01 +5.270959037839524e+02 2.136629231978441e+01 +1.033107971416546e+03 -1.336282983228121e+01 +#BASIS SET: (18s) -> [1s] +Bh s +1.111200682555800e-02 -1.298646724545804e+00 +2.177953337809369e-02 4.464604489946851e-01 +4.268788542106363e-02 -9.783423846031383e-01 +8.366825542528471e-02 -2.447341351398791e-02 +1.639897806335580e-01 -1.253272487632785e+00 +3.214199700417737e-01 -6.344697961523707e+00 +6.299831412818762e-01 -4.171289879297547e+00 +1.234766956912478e+00 -1.051525339042564e+01 +2.420143235548455e+00 -8.444072811587830e+00 +4.743480741674971e+00 -2.944113088228914e+01 +9.297222253682943e+00 1.175601972787990e+01 +1.822255561721856e+01 -2.842866041330853e+01 +3.571620900974838e+01 -4.391887385980226e+00 +7.000376965910681e+01 -1.539038378477562e+01 +1.372073885318493e+02 1.257688123430125e+01 +2.689264815224247e+02 -2.909306853171438e+01 +5.270959037839524e+02 2.153507042268757e+01 +1.033107971416546e+03 -1.353925178266506e+01 +#BASIS SET: (18s) -> [1s] +Hs s +1.111200682555800e-02 -8.341201077157905e-01 +2.177953337809369e-02 8.790079144666834e-01 +4.268788542106363e-02 -2.283173940496454e+00 +8.366825542528471e-02 1.475081697575661e+00 +1.639897806335580e-01 -3.167066785023053e+00 +3.214199700417737e-01 -2.779098271024850e+00 +6.299831412818762e-01 -9.160898144582461e+00 +1.234766956912478e+00 -8.925981476153538e+00 +2.420143235548455e+00 -6.700564324521110e+00 +4.743480741674971e+00 -3.138374833459966e+01 +9.297222253682943e+00 1.128727328829700e+01 +1.822255561721856e+01 -2.652256742934696e+01 +3.571620900974838e+01 -6.170834725373425e+00 +7.000376965910681e+01 -1.504709996806923e+01 +1.372073885318493e+02 1.283545416744892e+01 +2.689264815224247e+02 -2.969612549326848e+01 +5.270959037839524e+02 2.196771418547723e+01 +1.033107971416546e+03 -1.377325225309048e+01 +#BASIS SET: (17s) -> [1s] +Mt s +2.177953337809369e-02 -1.407885967637412e+00 +4.268788542106363e-02 1.344102207571268e+00 +8.366825542528471e-02 -3.147294190712273e+00 +1.639897806335580e-01 2.097782246768475e+00 +3.214199700417737e-01 -7.831320263445377e+00 +6.299831412818762e-01 -4.908788286149502e+00 +1.234766956912478e+00 -1.403986150026321e+01 +2.420143235548455e+00 -1.154428042471409e+00 +4.743480741674971e+00 -3.568506939709187e+01 +9.297222253682943e+00 1.274505364894867e+01 +1.822255561721856e+01 -2.645730164647102e+01 +3.571620900974838e+01 -6.238136500120163e+00 +7.000376965910681e+01 -1.610822957009077e+01 +1.372073885318493e+02 1.408763639628887e+01 +2.689264815224247e+02 -3.088333916664124e+01 +5.270959037839524e+02 2.265012596547604e+01 +1.033107971416546e+03 -1.406304593395907e+01 +#BASIS SET: (17s) -> [1s] +Ds s +2.177953337809369e-02 -8.473364649689756e-01 +4.268788542106363e-02 2.715228963643312e-02 +8.366825542528471e-02 -1.438781350851059e+00 +1.639897806335580e-01 3.357661515474319e-01 +3.214199700417737e-01 -5.682243831455708e+00 +6.299831412818762e-01 -7.300320878624916e+00 +1.234766956912478e+00 -1.335636290907860e+01 +2.420143235548455e+00 -9.442454874515533e-01 +4.743480741674971e+00 -3.501565833389759e+01 +9.297222253682943e+00 9.891752883791924e+00 +1.822255561721856e+01 -2.294107347726822e+01 +3.571620900974838e+01 -8.951182991266251e+00 +7.000376965910681e+01 -1.517304385453463e+01 +1.372073885318493e+02 1.392209500074387e+01 +2.689264815224247e+02 -3.121789243072271e+01 +5.270959037839524e+02 2.296292967163026e+01 +1.033107971416546e+03 -1.427155398722971e+01 +#BASIS SET: (18s) -> [1s] +Rg s +1.111200682555800e-02 -6.835231560231705e-01 +2.177953337809369e-02 1.757588680699200e-01 +4.268788542106363e-02 -9.472186794073423e-01 +8.366825542528471e-02 -1.717608273520455e-02 +1.639897806335580e-01 -2.179500749678482e+00 +3.214199700417737e-01 -3.199406468178495e+00 +6.299831412818762e-01 -8.116116654786310e+00 +1.234766956912478e+00 -1.398707836359245e+01 +2.420143235548455e+00 -4.670339062431594e-01 +4.743480741674971e+00 -3.422056054472341e+01 +9.297222253682943e+00 7.027167659776751e+00 +1.822255561721856e+01 -1.965827765141148e+01 +3.571620900974838e+01 -1.129485685401596e+01 +7.000376965910681e+01 -1.457168279995676e+01 +1.372073885318493e+02 1.397929956112057e+01 +2.689264815224247e+02 -3.167386135307606e+01 +5.270959037839524e+02 2.332571672275662e+01 +1.033107971416546e+03 -1.449164954789558e+01 +#BASIS SET: (18s) -> [1s] +Cn s +1.111200682555800e-02 -7.436983334214347e-01 +2.177953337809369e-02 -4.710327829033076e-01 +4.268788542106363e-02 -2.087244133585955e-01 +8.366825542528471e-02 -5.182653274459881e-03 +1.639897806335580e-01 -2.022545835352503e+00 +3.214199700417737e-01 -4.964443393429974e+00 +6.299831412818762e-01 -5.140563590084639e+00 +1.234766956912478e+00 -1.683545307665918e+01 +2.420143235548455e+00 1.174309486872517e+00 +4.743480741674971e+00 -3.419984179674066e+01 +9.297222253682943e+00 4.930194775515702e+00 +1.822255561721856e+01 -1.724860304151662e+01 +3.571620900974838e+01 -1.276138948102016e+01 +7.000376965910681e+01 -1.468927820818499e+01 +1.372073885318493e+02 1.452875568880700e+01 +2.689264815224247e+02 -3.241096889413893e+01 +5.270959037839524e+02 2.380656543147052e+01 +1.033107971416546e+03 -1.473809988258029e+01 +#BASIS SET: (19s) -> [1s] +Nh s +5.669391237529597e-03 -7.244503730306064e-01 +1.111200682555800e-02 7.372723947355553e-01 +2.177953337809369e-02 -1.990498364346422e+00 +4.268788542106363e-02 1.342310738691594e+00 +8.366825542528471e-02 -3.026690916114603e+00 +1.639897806335580e-01 1.554312489308359e+00 +3.214199700417737e-01 -8.040784788434394e+00 +6.299831412818762e-01 -2.255246505344985e+00 +1.234766956912478e+00 -1.899387099919841e+01 +2.420143235548455e+00 1.915332954435144e+00 +4.743480741674971e+00 -3.334905883995816e+01 +9.297222253682943e+00 2.295104585122317e+00 +1.822255561721856e+01 -1.463662634743378e+01 +3.571620900974838e+01 -1.422919883392751e+01 +7.000376965910681e+01 -1.483910924103111e+01 +1.372073885318493e+02 1.508286009589210e+01 +2.689264815224247e+02 -3.313887666189112e+01 +5.270959037839524e+02 2.428053725860082e+01 +1.033107971416546e+03 -1.498331864607479e+01 +#BASIS SET: (17s) -> [1s] +Fl s +2.177953337809369e-02 -1.942411746713333e+00 +4.268788542106363e-02 2.370507023297250e+00 +8.366825542528471e-02 -4.897245339117944e+00 +1.639897806335580e-01 7.749787140637636e-01 +3.214199700417737e-01 -6.501573912799358e+00 +6.299831412818762e-01 -1.626044757664204e+00 +1.234766956912478e+00 -2.045031990855932e+01 +2.420143235548455e+00 2.594327971339226e+00 +4.743480741674971e+00 -3.282015891373158e+01 +9.297222253682943e+00 3.242318332195282e-01 +1.822255561721856e+01 -1.292179788649082e+01 +3.571620900974838e+01 -1.477549800276756e+01 +7.000376965910681e+01 -1.574182532727718e+01 +1.372073885318493e+02 1.615276426076889e+01 +2.689264815224247e+02 -3.416295129060745e+01 +5.270959037839524e+02 2.487958934716880e+01 +1.033107971416546e+03 -1.525657206412870e+01 +#BASIS SET: (17s) -> [1s] +Mc s +2.177953337809369e-02 -2.053460385359358e+00 +4.268788542106363e-02 1.639023249968886e+00 +8.366825542528471e-02 -3.712891681119800e+00 +1.639897806335580e-01 1.035088844597340e+00 +3.214199700417737e-01 -7.818995296955109e+00 +6.299831412818762e-01 -2.034415453672409e+00 +1.234766956912478e+00 -1.812701560556889e+01 +2.420143235548455e+00 -5.084394887089729e-01 +4.743480741674971e+00 -2.925786279141903e+01 +9.297222253682943e+00 -3.976335898041725e+00 +1.822255561721856e+01 -9.447393417358398e+00 +3.571620900974838e+01 -1.667346948385239e+01 +7.000376965910681e+01 -1.557643997669220e+01 +1.372073885318493e+02 1.642775212973356e+01 +2.689264815224247e+02 -3.469646213203669e+01 +5.270959037839524e+02 2.526409793831408e+01 +1.033107971416546e+03 -1.548278055182891e+01 +#BASIS SET: (18s) -> [1s] +Lv s +1.111200682555800e-02 -9.318931638278798e-01 +2.177953337809369e-02 5.207830175164645e-01 +4.268788542106363e-02 -2.367354397235886e+00 +8.366825542528471e-02 1.371776267587848e+00 +1.639897806335580e-01 -5.066408341424903e+00 +3.214199700417737e-01 -1.842410333112639e+00 +6.299831412818762e-01 -7.916420451118029e+00 +1.234766956912478e+00 -1.213566579081089e+01 +2.420143235548455e+00 -6.306347028585151e+00 +4.743480741674971e+00 -2.358655345597072e+01 +9.297222253682943e+00 -9.851472971582552e+00 +1.822255561721856e+01 -4.863588897918817e+00 +3.571620900974838e+01 -1.937441822153050e+01 +7.000376965910681e+01 -1.477910132508259e+01 +1.372073885318493e+02 1.622196791728493e+01 +2.689264815224247e+02 -3.492878696892876e+01 +5.270959037839524e+02 2.551595815730980e+01 +1.033107971416546e+03 -1.568006401256972e+01 +#BASIS SET: (17s) -> [1s] +Ts s +2.177953337809369e-02 -2.112764893099666e+00 +4.268788542106363e-02 1.670027275569737e+00 +8.366825542528471e-02 -3.775026024319232e+00 +1.639897806335580e-01 4.969745390117168e-01 +3.214199700417737e-01 -8.054860129952431e+00 +6.299831412818762e-01 -2.025159336626530e+00 +1.234766956912478e+00 -1.729834204912186e+01 +2.420143235548455e+00 -1.692559435963631e+00 +4.743480741674971e+00 -2.732995729148388e+01 +9.297222253682943e+00 -7.386572480201721e+00 +1.822255561721856e+01 -7.504521444439888e+00 +3.571620900974838e+01 -1.608018721640110e+01 +7.000376965910681e+01 -1.862356871366501e+01 +1.372073885318493e+02 1.926550386846066e+01 +2.689264815224247e+02 -3.708027223497629e+01 +5.270959037839524e+02 2.659029909782112e+01 +1.033107971416546e+03 -1.605901353061199e+01 +#BASIS SET: (17s) -> [1s] +Og s +2.177953337809369e-02 -1.294760107470211e+00 +4.268788542106363e-02 -3.777095396071672e-01 +8.366825542528471e-02 -1.156230752356350e+00 +1.639897806335580e-01 -2.062383782118559e+00 +3.214199700417737e-01 -6.740785725414753e+00 +6.299831412818762e-01 -3.014338135719299e+00 +1.234766956912478e+00 -1.635621488094330e+01 +2.420143235548455e+00 -2.396625004708767e+00 +4.743480741674971e+00 -2.642468926310539e+01 +9.297222253682943e+00 -8.888857021927834e+00 +1.822255561721856e+01 -6.852011650800705e+00 +3.571620900974838e+01 -1.548754817247391e+01 +7.000376965910681e+01 -2.030353319644928e+01 +1.372073885318493e+02 2.072343978285789e+01 +2.689264815224247e+02 -3.826823274046183e+01 +5.270959037839524e+02 2.724661428481340e+01 +1.033107971416546e+03 -1.634613409411395e+01 diff --git a/pyscf/gto/basis/helfem_small.dat b/pyscf/gto/basis/helfem_small.dat new file mode 100644 index 0000000000..6c870a631f --- /dev/null +++ b/pyscf/gto/basis/helfem_small.dat @@ -0,0 +1,1413 @@ +BASIS "ao basis" PRINT +#BASIS SET: (3s) -> [1s] +H s +3.570467226624002e-02 -4.997072916195289e-01 +1.156831381426176e-01 3.129881482718586e-01 +3.748133675820811e-01 -8.132808566523297e-01 +#BASIS SET: (3s) -> [1s] +He s +1.156831381426176e-01 -1.301743054355085e+00 +3.748133675820811e-01 9.778538151106044e-01 +1.214395310965943e+00 -1.676110760755519e+00 +#BASIS SET: (6s) -> [1s] +Li s +1.101996057600000e-02 -5.982212337930557e-01 +3.570467226624002e-02 -3.083263394988833e-02 +1.156831381426176e-01 -4.081664719827671e-01 +3.748133675820811e-01 -7.479408512645733e-01 +1.214395310965943e+00 -5.564764866879557e-02 +3.934640807529656e+00 -1.159191160340920e+00 +#BASIS SET: (6s) -> [1s] +Be s +1.101996057600000e-02 -3.735364484237680e-01 +3.570467226624002e-02 -9.551307250202186e-01 +1.156831381426176e-01 9.432158383648925e-02 +3.748133675820811e-01 -1.194300489236326e+00 +1.214395310965943e+00 2.751389569990579e-01 +3.934640807529656e+00 -1.846492878155234e+00 +#BASIS SET: (7s) -> [1s] +B s +1.101996057600000e-02 -5.777514136343527e-01 +3.570467226624002e-02 -1.248703573933483e-01 +1.156831381426176e-01 -1.285797341186708e+00 +3.748133675820811e-01 -6.448367993673401e-01 +1.214395310965943e+00 -8.703236862687618e-01 +3.934640807529656e+00 -4.961676086936109e-01 +1.274823621639609e+01 -1.000252793455878e+00 +#BASIS SET: (6s) -> [1s] +C s +3.570467226624002e-02 -6.540361310970759e-01 +1.156831381426176e-01 -1.770418814658399e-01 +3.748133675820811e-01 -2.065938886619904e+00 +1.214395310965943e+00 -1.962101535276133e+00 +3.934640807529656e+00 5.223264214257028e-01 +1.274823621639609e+01 -1.663207986966750e+00 +#BASIS SET: (6s) -> [1s] +N s +3.570467226624002e-02 -6.487503253828031e-01 +1.156831381426176e-01 -6.862392764968348e-01 +3.748133675820811e-01 -1.291348145755762e+00 +1.214395310965943e+00 -2.871260957010747e+00 +3.934640807529656e+00 5.743512327850908e-01 +1.274823621639609e+01 -2.076752528138943e+00 +#BASIS SET: (7s) -> [1s] +O s +1.101996057600000e-02 -2.824456213409761e-01 +3.570467226624002e-02 -2.113502974463302e-01 +1.156831381426176e-01 -8.941112950246861e-01 +3.748133675820811e-01 -1.001582756802463e+00 +1.214395310965943e+00 -3.892512317082947e+00 +3.934640807529656e+00 8.315504596608889e-01 +1.274823621639609e+01 -2.549548171963487e+00 +#BASIS SET: (6s) -> [1s] +F s +3.570467226624002e-02 -5.109770636984390e-01 +1.156831381426176e-01 -7.867604594082991e-01 +3.748133675820811e-01 -6.232507957702751e-01 +1.214395310965943e+00 -4.911645732023999e+00 +3.934640807529656e+00 7.872401367002340e-01 +1.274823621639609e+01 -2.954606085799222e+00 +#BASIS SET: (6s) -> [1s] +Ne s +1.156831381426176e-01 -1.812689749658340e+00 +3.748133675820811e-01 5.956692210929191e-01 +1.214395310965943e+00 -5.308530166222965e+00 +3.934640807529656e+00 -1.516664890683728e+00 +1.274823621639609e+01 -5.999224255000399e-01 +4.130428534112331e+01 -1.357861989027846e+00 +#BASIS SET: (8s) -> [1s] +Na s +1.101996057600000e-02 -7.139520193200184e-01 +3.570467226624002e-02 1.280798386707431e-01 +1.156831381426176e-01 -9.290901075582951e-01 +3.748133675820811e-01 -1.129846398931932e+00 +1.214395310965943e+00 -2.849203742742247e+00 +3.934640807529656e+00 -3.961576865047618e+00 +1.274823621639609e+01 3.209968133327266e-01 +4.130428534112331e+01 -1.865407518403359e+00 +#BASIS SET: (8s) -> [1s] +Mg s +1.101996057600000e-02 -6.780748257068865e-01 +3.570467226624002e-02 -7.811796167775640e-01 +1.156831381426176e-01 4.488210759302547e-02 +3.748133675820811e-01 -1.833904645934126e+00 +1.214395310965943e+00 -2.398938147402987e+00 +3.934640807529656e+00 -4.322115459564429e+00 +1.274823621639609e+01 -5.460705217728901e-03 +4.130428534112331e+01 -2.025208706989304e+00 +#BASIS SET: (9s) -> [1s] +Al s +3.401222400000001e-03 -1.888407639206093e-01 +1.101996057600000e-02 -4.097757837600966e-01 +3.570467226624002e-02 -7.460467433138547e-01 +1.156831381426176e-01 -1.124958396216243e+00 +3.748133675820811e-01 -9.654591876915219e-01 +1.214395310965943e+00 -2.653478370801167e+00 +3.934640807529656e+00 -4.262623586227164e+00 +1.274823621639609e+01 -4.643522720270994e-01 +4.130428534112331e+01 -2.184464896042243e+00 +#BASIS SET: (8s) -> [1s] +Si s +1.101996057600000e-02 -2.051786311924957e-01 +3.570467226624002e-02 -7.012752749042761e-01 +1.156831381426176e-01 -1.081642288543549e+00 +3.748133675820811e-01 -3.478760824379151e+00 +1.214395310965943e+00 -4.319016740078041e-02 +3.934640807529656e+00 -5.785008441221635e+00 +1.274823621639609e+01 -9.683854385798440e-02 +4.130428534112331e+01 -2.608105828500129e+00 +#BASIS SET: (7s) -> [1s] +P s +3.570467226624002e-02 -1.511868193313006e+00 +1.156831381426176e-01 -3.391402682163402e-01 +3.748133675820811e-01 -3.789950971813255e+00 +1.214395310965943e+00 -5.005862844723197e-01 +3.934640807529656e+00 -5.612610130421217e+00 +1.274823621639609e+01 -3.403447350224269e-01 +4.130428534112331e+01 -2.905499416741435e+00 +#BASIS SET: (8s) -> [1s] +S s +1.101996057600000e-02 -3.740165155402622e-01 +3.570467226624002e-02 -6.975346150109090e-01 +1.156831381426176e-01 -9.787485793920041e-01 +3.748133675820811e-01 -3.843443233618473e+00 +1.214395310965943e+00 -1.045205902853922e+00 +3.934640807529656e+00 -5.115832985106408e+00 +1.274823621639609e+01 -7.946575438736545e-01 +4.130428534112331e+01 -3.150560624604367e+00 +#BASIS SET: (7s) -> [1s] +Cl s +3.570467226624002e-02 -1.370096374960767e+00 +1.156831381426176e-01 -1.056632987637158e-01 +3.748133675820811e-01 -4.924112401316734e+00 +1.214395310965943e+00 -1.151690073634200e+00 +3.934640807529656e+00 -4.992738173971702e+00 +1.274823621639609e+01 -9.540545040606503e-01 +4.130428534112331e+01 -3.501645173292232e+00 +#BASIS SET: (7s) -> [1s] +Ar s +3.570467226624002e-02 -1.009501790660877e+00 +1.156831381426176e-01 -5.532037297880379e-01 +3.748133675820811e-01 -4.432107553572337e+00 +1.214395310965943e+00 -2.790816372103563e+00 +3.934640807529656e+00 -3.920605549632455e+00 +1.274823621639609e+01 -1.554863273170668e+00 +4.130428534112331e+01 -3.738901731072062e+00 +#BASIS SET: (9s) -> [1s] +K s +1.101996057600000e-02 -1.082038332169873e+00 +3.570467226624002e-02 5.251267825983632e-01 +1.156831381426176e-01 -2.106584500362260e+00 +3.748133675820811e-01 -2.761050112170778e+00 +1.214395310965943e+00 -4.836744533024103e+00 +3.934640807529656e+00 -1.656062043211932e+00 +1.274823621639609e+01 -5.024572376300057e+00 +4.130428534112331e+01 -2.470099377314909e-01 +1.338258845052396e+02 -1.811064947627870e+00 +#BASIS SET: (9s) -> [1s] +Ca s +1.101996057600000e-02 -1.313097757945798e+00 +3.570467226624002e-02 -1.030487253046886e-03 +1.156831381426176e-01 -8.955968412656148e-01 +3.748133675820811e-01 -4.158894284386406e+00 +1.214395310965943e+00 -3.911352107472339e+00 +3.934640807529656e+00 -2.637925402834298e+00 +1.274823621639609e+01 -4.455950981326168e+00 +4.130428534112331e+01 -7.811924394227390e-01 +1.338258845052396e+02 -1.844959698093589e+00 +#BASIS SET: (10s) -> [1s] +Sc s +3.401222400000001e-03 -2.656622825507209e-01 +1.101996057600000e-02 -5.894311635978635e-01 +3.570467226624002e-02 -1.155276621680734e+00 +1.156831381426176e-01 -7.360477848463347e-01 +3.748133675820811e-01 -3.668514067249134e+00 +1.214395310965943e+00 -4.615150650126623e+00 +3.934640807529656e+00 -2.350987992557634e+00 +1.274823621639609e+01 -4.789023430896805e+00 +4.130428534112331e+01 -7.843921988765032e-01 +1.338258845052396e+02 -2.045513807617649e+00 +#BASIS SET: (9s) -> [1s] +Ti s +1.101996057600000e-02 -6.207170591409295e-01 +3.570467226624002e-02 -1.454044835149944e-01 +1.156831381426176e-01 -1.949596227424991e+00 +3.748133675820811e-01 -2.773769552281010e+00 +1.214395310965943e+00 -6.529201507231846e+00 +3.934640807529656e+00 -1.932411427733314e+00 +1.274823621639609e+01 -4.957475472016085e+00 +4.130428534112331e+01 -8.824082188002649e-01 +1.338258845052396e+02 -2.209016051856565e+00 +#BASIS SET: (9s) -> [1s] +V s +1.101996057600000e-02 -3.905349077323308e-01 +3.570467226624002e-02 -1.963519174132671e-01 +1.156831381426176e-01 -1.349156591709288e+00 +3.748133675820811e-01 -3.005651810190102e+00 +1.214395310965943e+00 -7.673127458234376e+00 +3.934640807529656e+00 -2.107721506508824e+00 +1.274823621639609e+01 -4.831195551054407e+00 +4.130428534112331e+01 -1.100567517774834e+00 +1.338258845052396e+02 -2.345692739382571e+00 +#BASIS SET: (9s) -> [1s] +Cr s +1.101996057600000e-02 -5.022865793987421e-01 +3.570467226624002e-02 -1.284198926118734e-01 +1.156831381426176e-01 -1.480653276847988e+00 +3.748133675820811e-01 -2.715735652724106e+00 +1.214395310965943e+00 -7.805037477406586e+00 +3.934640807529656e+00 -3.154132246774680e+00 +1.274823621639609e+01 -4.254228393849189e+00 +4.130428534112331e+01 -1.525511797235595e+00 +1.338258845052396e+02 -2.433994683151241e+00 +#BASIS SET: (9s) -> [1s] +Mn s +1.101996057600000e-02 -7.537338961155911e-01 +3.570467226624002e-02 -6.492776131954088e-01 +1.156831381426176e-01 -4.379790988277819e-01 +3.748133675820811e-01 -3.131708240623993e+00 +1.214395310965943e+00 -7.642406932400263e+00 +3.934640807529656e+00 -4.097420925958431e+00 +1.274823621639609e+01 -3.944390175758599e+00 +4.130428534112331e+01 -1.755419915261882e+00 +1.338258845052396e+02 -2.587663201858049e+00 +#BASIS SET: (10s) -> [1s] +Fe s +3.401222400000001e-03 -1.709688398789506e-01 +1.101996057600000e-02 -5.554575621758246e-01 +3.570467226624002e-02 -7.254127566541655e-01 +1.156831381426176e-01 -1.245837086393792e+00 +3.748133675820811e-01 -2.189970366028433e+00 +1.214395310965943e+00 -7.829466318849427e+00 +3.934640807529656e+00 -4.755999029635859e+00 +1.274823621639609e+01 -3.920585677984946e+00 +4.130428534112331e+01 -1.806947866876499e+00 +1.338258845052396e+02 -2.799354495522103e+00 +#BASIS SET: (9s) -> [1s] +Co s +1.101996057600000e-02 -5.983671971489457e-01 +3.570467226624002e-02 -7.499246400293487e-01 +1.156831381426176e-01 -6.351561512974513e-01 +3.748133675820811e-01 -2.691741032256687e+00 +1.214395310965943e+00 -7.772489473707537e+00 +3.934640807529656e+00 -6.187608486776298e+00 +1.274823621639609e+01 -3.236619562947453e+00 +4.130428534112331e+01 -2.238782364071085e+00 +1.338258845052396e+02 -2.889311091765194e+00 +#BASIS SET: (9s) -> [1s] +Ni s +1.101996057600000e-02 -2.725037086033808e-01 +3.570467226624002e-02 -6.055088794237236e-01 +1.156831381426176e-01 -5.181807597746229e-01 +3.748133675820811e-01 -2.086354915500124e+00 +1.214395310965943e+00 -9.043478541529112e+00 +3.934640807529656e+00 -7.008800435924059e+00 +1.274823621639609e+01 -3.004225645403494e+00 +4.130428534112331e+01 -2.405951975371863e+00 +1.338258845052396e+02 -3.054995138469621e+00 +#BASIS SET: (9s) -> [1s] +Cu s +1.101996057600000e-02 -4.136117341749923e-01 +3.570467226624002e-02 -4.924771621567743e-01 +1.156831381426176e-01 -8.419288228387813e-01 +3.748133675820811e-01 -1.860067502451784e+00 +1.214395310965943e+00 -8.360836645635572e+00 +3.934640807529656e+00 -8.516447819980385e+00 +1.274823621639609e+01 -2.731623590869276e+00 +4.130428534112331e+01 -2.537165421508689e+00 +1.338258845052396e+02 -3.245841300383745e+00 +#BASIS SET: (9s) -> [1s] +Zn s +1.101996057600000e-02 -4.734470060675449e-01 +3.570467226624002e-02 -8.628061562203584e-01 +1.156831381426176e-01 -2.461922050970315e-01 +3.748133675820811e-01 -2.616308742522961e+00 +1.214395310965943e+00 -7.174313110484945e+00 +3.934640807529656e+00 -9.915389924557530e+00 +1.274823621639609e+01 -2.705344317539129e+00 +4.130428534112331e+01 -2.524840042164215e+00 +1.338258845052396e+02 -3.481358495346285e+00 +#BASIS SET: (10s) -> [1s] +Ga s +3.401222400000001e-03 -1.940963814158807e-01 +1.101996057600000e-02 -3.834450538148744e-01 +3.570467226624002e-02 -6.686853136095081e-01 +1.156831381426176e-01 -1.246471690199627e+00 +3.748133675820811e-01 -1.777541301065014e+00 +1.214395310965943e+00 -7.022658342229306e+00 +3.934640807529656e+00 -1.032351989991139e+01 +1.274823621639609e+01 -3.443326890795788e+00 +4.130428534112331e+01 -2.102973218175293e+00 +1.338258845052396e+02 -3.837281908783318e+00 +#BASIS SET: (9s) -> [1s] +Ge s +1.101996057600000e-02 -4.416785977397240e-01 +3.570467226624002e-02 -8.287922447266283e-01 +1.156831381426176e-01 -1.367456334255621e+00 +3.748133675820811e-01 -2.378305621001346e+00 +1.214395310965943e+00 -5.945452672844112e+00 +3.934640807529656e+00 -1.110290027395968e+01 +1.274823621639609e+01 -3.950899784536887e+00 +4.130428534112331e+01 -1.839008835013374e+00 +1.338258845052396e+02 -4.145505635922632e+00 +#BASIS SET: (9s) -> [1s] +As s +1.101996057600000e-02 -1.747561952962542e-01 +3.570467226624002e-02 -1.122170787359209e+00 +1.156831381426176e-01 -1.176310084794750e+00 +3.748133675820811e-01 -3.380001351775718e+00 +1.214395310965943e+00 -4.945775515734567e+00 +3.934640807529656e+00 -1.156331062814570e+01 +1.274823621639609e+01 -4.665991657304403e+00 +4.130428534112331e+01 -1.496222382789711e+00 +1.338258845052396e+02 -4.475461396799687e+00 +#BASIS SET: (9s) -> [1s] +Se s +1.101996057600000e-02 -4.599432403333594e-01 +3.570467226624002e-02 -6.692006977355049e-01 +1.156831381426176e-01 -1.445812986530655e+00 +3.748133675820811e-01 -3.808405078605574e+00 +1.214395310965943e+00 -4.615874850016553e+00 +3.934640807529656e+00 -1.141525698525948e+01 +1.274823621639609e+01 -5.737396536162123e+00 +4.130428534112331e+01 -1.000260492299276e+00 +1.338258845052396e+02 -4.847849133057480e+00 +#BASIS SET: (8s) -> [1s] +Br s +3.570467226624002e-02 -1.661730879902279e+00 +1.156831381426176e-01 -2.354379030406335e-01 +3.748133675820811e-01 -5.458179306171132e+00 +1.214395310965943e+00 -3.608038215736087e+00 +3.934640807529656e+00 -1.172538542066286e+01 +1.274823621639609e+01 -6.392941259796316e+00 +4.130428534112331e+01 -7.816210844448506e-01 +1.338258845052396e+02 -5.136665930245840e+00 +#BASIS SET: (8s) -> [1s] +Kr s +3.570467226624002e-02 -1.320921552624696e+00 +1.156831381426176e-01 -7.090680785596533e-01 +3.748133675820811e-01 -5.346409325440163e+00 +1.214395310965943e+00 -4.412664855082767e+00 +3.934640807529656e+00 -1.057231808892084e+01 +1.274823621639609e+01 -7.998528817685838e+00 +4.130428534112331e+01 -6.869471860181875e-02 +1.338258845052396e+02 -5.571394563084226e+00 +#BASIS SET: (10s) -> [1s] +Rb s +3.401222400000001e-03 -1.831708017358284e-01 +1.101996057600000e-02 -6.706343573151443e-01 +3.570467226624002e-02 -1.411907204195586e-01 +1.156831381426176e-01 -2.054191008329639e+00 +3.748133675820811e-01 -4.181586053734179e+00 +1.214395310965943e+00 -5.307852046101516e+00 +3.934640807529656e+00 -9.648094932956838e+00 +1.274823621639609e+01 -9.306240690141749e+00 +4.130428534112331e+01 4.364904966105314e-01 +1.338258845052396e+02 -5.943529885876082e+00 +#BASIS SET: (9s) -> [1s] +Sr s +1.101996057600000e-02 -1.636211262965617e+00 +3.570467226624002e-02 5.700375412575340e-01 +1.156831381426176e-01 -2.111492696070854e+00 +3.748133675820811e-01 -4.831082340220746e+00 +1.214395310965943e+00 -4.640634078819858e+00 +3.934640807529656e+00 -9.856270488355221e+00 +1.274823621639609e+01 -9.775752975088835e+00 +4.130428534112331e+01 4.551380136308580e-01 +1.338258845052396e+02 -6.173731713367260e+00 +#BASIS SET: (10s) -> [1s] +Y s +3.401222400000001e-03 -3.302219117933438e-01 +1.101996057600000e-02 -7.059318470057256e-01 +3.570467226624002e-02 -1.166438525924718e+00 +1.156831381426176e-01 -1.025209848703213e+00 +3.748133675820811e-01 -5.401871664027965e+00 +1.214395310965943e+00 -4.377211896019730e+00 +3.934640807529656e+00 -9.657808472543593e+00 +1.274823621639609e+01 -1.048555374191983e+01 +4.130428534112331e+01 5.911522959140711e-01 +1.338258845052396e+02 -6.440904387975955e+00 +#BASIS SET: (10s) -> [1s] +Zr s +1.101996057600000e-02 -6.943652472437654e-01 +3.570467226624002e-02 -5.674832204015345e-02 +1.156831381426176e-01 -2.389320811836512e+00 +3.748133675820811e-01 -5.169883346610220e+00 +1.214395310965943e+00 -5.990870363383976e+00 +3.934640807529656e+00 -8.396804442154007e+00 +1.274823621639609e+01 -1.035153976358288e+01 +4.130428534112331e+01 -2.354454027285101e+00 +1.338258845052396e+02 -2.592731266036935e+00 +4.335958657969762e+02 -2.003282409826454e+00 +#BASIS SET: (9s) -> [1s] +Nb s +1.101996057600000e-02 -3.579508977777550e-01 +3.570467226624002e-02 -5.244062236424725e-01 +1.156831381426176e-01 -1.574177729267831e+00 +3.748133675820811e-01 -6.062615959031973e+00 +1.214395310965943e+00 -6.855979463151016e+00 +3.934640807529656e+00 -6.649049014660704e+00 +1.274823621639609e+01 -1.331562872861105e+01 +4.130428534112331e+01 1.490558285753650e+00 +1.338258845052396e+02 -7.150750269610853e+00 +#BASIS SET: (9s) -> [1s] +Mo s +1.101996057600000e-02 -4.971380054469137e-01 +3.570467226624002e-02 -3.357296943595429e-01 +1.156831381426176e-01 -1.865328784673693e+00 +3.748133675820811e-01 -5.724137037130276e+00 +1.214395310965943e+00 -7.780605142674176e+00 +3.934640807529656e+00 -5.907708229366108e+00 +1.274823621639609e+01 -1.403694809922672e+01 +4.130428534112331e+01 1.546016816053452e+00 +1.338258845052396e+02 -7.398421823176022e+00 +#BASIS SET: (10s) -> [1s] +Tc s +1.101996057600000e-02 -9.048437045454216e-01 +3.570467226624002e-02 -6.106806692189402e-01 +1.156831381426176e-01 -6.287185899049490e-01 +3.748133675820811e-01 -6.738906913920630e+00 +1.214395310965943e+00 -7.503376049610097e+00 +3.934640807529656e+00 -6.895387804235952e+00 +1.274823621639609e+01 -1.177803476024656e+01 +4.130428534112331e+01 -3.150587654867650e+00 +1.338258845052396e+02 -2.340003259217156e+00 +4.335958657969762e+02 -2.449460594232647e+00 +#BASIS SET: (10s) -> [1s] +Ru s +1.101996057600000e-02 -8.530892092928379e-01 +3.570467226624002e-02 -5.987676554955570e-01 +1.156831381426176e-01 -9.175248455759260e-01 +3.748133675820811e-01 -6.071233206243477e+00 +1.214395310965943e+00 -8.933172686800162e+00 +3.934640807529656e+00 -6.061156679906389e+00 +1.274823621639609e+01 -1.228526288219791e+01 +4.130428534112331e+01 -3.413645406034448e+00 +1.338258845052396e+02 -2.273301623635689e+00 +4.335958657969762e+02 -2.592845804817600e+00 +#BASIS SET: (10s) -> [1s] +Rh s +1.101996057600000e-02 -3.205337353109297e-01 +3.570467226624002e-02 -8.472057135860744e-01 +1.156831381426176e-01 -4.775971987212131e-01 +3.748133675820811e-01 -5.861801495349255e+00 +1.214395310965943e+00 -1.124066261842938e+01 +3.934640807529656e+00 -4.715599440663254e+00 +1.274823621639609e+01 -1.295892990675429e+01 +4.130428534112331e+01 -3.602510607378008e+00 +1.338258845052396e+02 -2.255242111297321e+00 +4.335958657969762e+02 -2.719917172510272e+00 +#BASIS SET: (9s) -> [1s] +Pd s +3.570467226624002e-02 -1.486483542564883e+00 +1.156831381426176e-01 3.477538332053882e-01 +3.748133675820811e-01 -6.125551655233721e+00 +1.214395310965943e+00 -1.200140122741141e+01 +3.934640807529656e+00 -4.883785266232735e+00 +1.274823621639609e+01 -1.252121492487640e+01 +4.130428534112331e+01 -4.516421773798356e+00 +1.338258845052396e+02 -1.851359886655700e+00 +4.335958657969762e+02 -2.961535556432182e+00 +#BASIS SET: (10s) -> [1s] +Ag s +1.101996057600000e-02 -4.882473411271526e-01 +3.570467226624002e-02 -5.494716126668706e-01 +1.156831381426176e-01 -1.035907043728471e+00 +3.748133675820811e-01 -4.501339287305655e+00 +1.214395310965943e+00 -1.333360528895435e+01 +3.934640807529656e+00 -4.808408282491428e+00 +1.274823621639609e+01 -1.232876272772319e+01 +4.130428534112331e+01 -5.198772341942004e+00 +1.338258845052396e+02 -1.596414504563654e+00 +4.335958657969762e+02 -3.159071569497229e+00 +#BASIS SET: (10s) -> [1s] +Cd s +1.101996057600000e-02 -6.412123242921508e-01 +3.570467226624002e-02 -7.457789017640906e-01 +1.156831381426176e-01 -5.688927771718113e-01 +3.748133675820811e-01 -4.968267398693229e+00 +1.214395310965943e+00 -1.283755066854189e+01 +3.934640807529656e+00 -6.089472931995942e+00 +1.274823621639609e+01 -1.118353393661573e+01 +4.130428534112331e+01 -6.497694584740657e+00 +1.338258845052396e+02 -1.014519053278946e+00 +4.335958657969762e+02 -3.453077422905551e+00 +#BASIS SET: (11s) -> [1s] +In s +3.401222400000001e-03 -1.984062403666371e-01 +1.101996057600000e-02 -4.777932898352972e-01 +3.570467226624002e-02 -7.772770451433360e-01 +1.156831381426176e-01 -1.373596295267589e+00 +3.748133675820811e-01 -3.811989359890049e+00 +1.214395310965943e+00 -1.341587154250374e+01 +3.934640807529656e+00 -6.568431621357377e+00 +1.274823621639609e+01 -1.069945516978260e+01 +4.130428534112331e+01 -7.284989071888049e+00 +1.338258845052396e+02 -7.344196604381068e-01 +4.335958657969762e+02 -3.657770703527227e+00 +#BASIS SET: (10s) -> [1s] +Sn s +1.101996057600000e-02 -3.418354809454902e-01 +3.570467226624002e-02 -6.714847144280824e-01 +1.156831381426176e-01 -2.629325394887445e+00 +3.748133675820811e-01 -3.484859399021047e+00 +1.214395310965943e+00 -1.247485991569556e+01 +3.934640807529656e+00 -8.356658124875594e+00 +1.274823621639609e+01 -9.259824430223489e+00 +4.130428534112331e+01 -8.702526038334327e+00 +1.338258845052396e+02 -1.153720753982270e-01 +4.335958657969762e+02 -3.963254426190737e+00 +#BASIS SET: (10s) -> [1s] +Sb s +1.101996057600000e-02 -3.052275744974775e-01 +3.570467226624002e-02 -1.236186373376334e+00 +1.156831381426176e-01 -1.710468237138841e+00 +3.748133675820811e-01 -4.327415362670706e+00 +1.214395310965943e+00 -1.208869039671492e+01 +3.934640807529656e+00 -9.104754196007207e+00 +1.274823621639609e+01 -8.772291710873105e+00 +4.130428534112331e+01 -9.394814128955204e+00 +1.338258845052396e+02 8.536034765438671e-02 +4.335958657969762e+02 -4.145512367420586e+00 +#BASIS SET: (10s) -> [1s] +Te s +1.101996057600000e-02 -6.064609390558120e-01 +3.570467226624002e-02 -6.913820333413199e-01 +1.156831381426176e-01 -2.292844179239239e+00 +3.748133675820811e-01 -4.332549856918661e+00 +1.214395310965943e+00 -1.177844256186847e+01 +3.934640807529656e+00 -9.908595138142573e+00 +1.274823621639609e+01 -8.262708481394384e+00 +4.130428534112331e+01 -1.007191237156030e+01 +1.338258845052396e+02 2.683043678730428e-01 +4.335958657969762e+02 -4.323408806352276e+00 +#BASIS SET: (10s) -> [1s] +I s +1.101996057600000e-02 -3.125367282073910e-01 +3.570467226624002e-02 -1.207136282391176e+00 +1.156831381426176e-01 -1.880326858567670e+00 +3.748133675820811e-01 -5.220480355588336e+00 +1.214395310965943e+00 -1.091913398712472e+01 +3.934640807529656e+00 -1.103406213646008e+01 +1.274823621639609e+01 -7.552338114138365e+00 +4.130428534112331e+01 -1.086272971447170e+01 +1.338258845052396e+02 5.082751996892512e-01 +4.335958657969762e+02 -4.519531022739812e+00 +#BASIS SET: (9s) -> [1s] +Xe s +3.570467226624002e-02 -1.806792106218381e+00 +1.156831381426176e-01 -1.099167350082098e+00 +3.748133675820811e-01 -6.607100899323996e+00 +1.214395310965943e+00 -9.776497247414227e+00 +3.934640807529656e+00 -1.229612033347803e+01 +1.274823621639609e+01 -6.773155918555858e+00 +4.130428534112331e+01 -1.167859128095733e+01 +1.338258845052396e+02 7.573424519468972e-01 +4.335958657969762e+02 -4.719917315916973e+00 +#BASIS SET: (11s) -> [1s] +Cs s +3.401222400000001e-03 -2.693535685156032e-01 +1.101996057600000e-02 -6.922987449021036e-01 +3.570467226624002e-02 -1.623380550863089e-01 +1.156831381426176e-01 -3.310375444062970e+00 +3.748133675820811e-01 -4.446355759388780e+00 +1.214395310965943e+00 -1.126646342100366e+01 +3.934640807529656e+00 -1.160653317626384e+01 +1.274823621639609e+01 -7.477014574862551e+00 +4.130428534112331e+01 -1.143382697517154e+01 +1.338258845052396e+02 4.099511177009845e-01 +4.335958657969762e+02 -4.745391398443623e+00 +#BASIS SET: (11s) -> [1s] +Ba s +3.401222400000001e-03 -1.746636998537827e-01 +1.101996057600000e-02 -1.620027395213597e+00 +3.570467226624002e-02 8.116908597581300e-01 +1.156831381426176e-01 -3.868674657904990e+00 +3.748133675820811e-01 -4.683084272618089e+00 +1.214395310965943e+00 -1.040405448057254e+01 +3.934640807529656e+00 -1.281820961231188e+01 +1.274823621639609e+01 -6.732326500614363e+00 +4.130428534112331e+01 -1.219570819142791e+01 +1.338258845052396e+02 6.236143064479620e-01 +4.335958657969762e+02 -4.938556355688945e+00 +#BASIS SET: (11s) -> [1s] +La s +3.401222400000001e-03 -1.887038366653897e-01 +1.101996057600000e-02 -1.313303898819797e+00 +3.570467226624002e-02 5.614703965855483e-02 +1.156831381426176e-01 -3.229593845745057e+00 +3.748133675820811e-01 -5.770601825003951e+00 +1.214395310965943e+00 -9.309494841515971e+00 +3.934640807529656e+00 -1.390680676324519e+01 +1.274823621639609e+01 -6.189200849872577e+00 +4.130428534112331e+01 -1.277663675089025e+01 +1.338258845052396e+02 7.287710822829467e-01 +4.335958657969762e+02 -5.100575510183326e+00 +#BASIS SET: (10s) -> [1s] +Ce s +1.101996057600000e-02 -6.465253122794401e-01 +3.570467226624002e-02 -3.086347104148714e-01 +1.156831381426176e-01 -3.341978389083550e+00 +3.748133675820811e-01 -6.760216608529731e+00 +1.214395310965943e+00 -9.130228157582565e+00 +3.934640807529656e+00 -1.379491548847727e+01 +1.274823621639609e+01 -6.697896701702120e+00 +4.130428534112331e+01 -1.257723165462085e+01 +1.338258845052396e+02 3.891307223429976e-01 +4.335958657969762e+02 -5.131503699652598e+00 +#BASIS SET: (10s) -> [1s] +Pr s +1.101996057600000e-02 -1.934852304951580e+00 +3.570467226624002e-02 1.131518830846275e+00 +1.156831381426176e-01 -3.660697367115546e+00 +3.748133675820811e-01 -5.057021496095786e+00 +1.214395310965943e+00 -1.046913873176379e+01 +3.934640807529656e+00 -1.510639771151000e+01 +1.274823621639609e+01 -5.966738033146612e+00 +4.130428534112331e+01 -1.316770812465711e+01 +1.338258845052396e+02 5.411779146106710e-01 +4.335958657969762e+02 -5.310142976216525e+00 +#BASIS SET: (11s) -> [1s] +Nd s +3.401222400000001e-03 -1.997409311994129e-01 +1.101996057600000e-02 -6.534326653293192e-01 +3.570467226624002e-02 -2.618142609381664e-01 +1.156831381426176e-01 -2.542521151351139e+00 +3.748133675820811e-01 -5.309364176147938e+00 +1.214395310965943e+00 -1.101691420792804e+01 +3.934640807529656e+00 -1.578798791038480e+01 +1.274823621639609e+01 -5.998474834712397e+00 +4.130428534112331e+01 -1.320065520845856e+01 +1.338258845052396e+02 3.619477001002451e-01 +4.335958657969762e+02 -5.391042353650477e+00 +#BASIS SET: (11s) -> [1s] +Pm s +3.401222400000001e-03 -5.829826573062142e-01 +1.101996057600000e-02 6.683010275914683e-01 +3.570467226624002e-02 -1.412747682437725e+00 +1.156831381426176e-01 -1.227712243895894e+00 +3.748133675820811e-01 -6.406669101455236e+00 +1.214395310965943e+00 -1.051016510756017e+01 +3.934640807529656e+00 -1.727443142776428e+01 +1.274823621639609e+01 -5.523949111844559e+00 +4.130428534112331e+01 -1.357620765477623e+01 +1.338258845052396e+02 3.779654537975148e-01 +4.335958657969762e+02 -5.531401494348671e+00 +#BASIS SET: (11s) -> [1s] +Sm s +3.401222400000001e-03 -1.917778720210084e-01 +1.101996057600000e-02 -6.806267626233762e-01 +3.570467226624002e-02 -1.510661715209665e-01 +1.156831381426176e-01 -2.325485996387215e+00 +3.748133675820811e-01 -5.158306641909803e+00 +1.214395310965943e+00 -1.096308821931098e+01 +3.934640807529656e+00 -1.778831717642788e+01 +1.274823621639609e+01 -5.804975817485683e+00 +4.130428534112331e+01 -1.346474226237842e+01 +1.338258845052396e+02 1.242723069226486e-01 +4.335958657969762e+02 -5.595885386857319e+00 +#BASIS SET: (10s) -> [1s] +Eu s +1.101996057600000e-02 -1.805696371266375e+00 +3.570467226624002e-02 8.931355092544990e-01 +1.156831381426176e-01 -2.859096834665422e+00 +3.748133675820811e-01 -5.232876033190848e+00 +1.214395310965943e+00 -9.935098154707248e+00 +3.934640807529656e+00 -1.916243316679743e+01 +1.274823621639609e+01 -5.490219347551374e+00 +4.130428534112331e+01 -1.378831313652972e+01 +1.338258845052396e+02 1.163481178582515e-01 +4.335958657969762e+02 -5.735750582404336e+00 +#BASIS SET: (11s) -> [1s] +Gd s +3.401222400000001e-03 -2.133501962123674e-01 +1.101996057600000e-02 -9.902390123481553e-01 +3.570467226624002e-02 -4.579312914252114e-01 +1.156831381426176e-01 -1.773296661410313e+00 +3.748133675820811e-01 -6.442766144382858e+00 +1.214395310965943e+00 -8.631631940472289e+00 +3.934640807529656e+00 -2.025978945471797e+01 +1.274823621639609e+01 -5.478226152572461e+00 +4.130428534112331e+01 -1.390326207929320e+01 +1.338258845052396e+02 -5.574000511842314e-03 +4.335958657969762e+02 -5.843933066653328e+00 +#BASIS SET: (10s) -> [1s] +Tb s +1.101996057600000e-02 -6.059220470053965e-01 +3.570467226624002e-02 -2.897692791359461e-01 +1.156831381426176e-01 -2.446263961253266e+00 +3.748133675820811e-01 -6.531914829737502e+00 +1.214395310965943e+00 -9.419127562118888e+00 +3.934640807529656e+00 -1.912806566485210e+01 +1.274823621639609e+01 -7.217818610209179e+00 +4.130428534112331e+01 -1.280490812033077e+01 +1.338258845052396e+02 -8.013585902544946e-01 +4.335958657969762e+02 -5.754851335102458e+00 +#BASIS SET: (14s) -> [1s] +Dy s +3.240000000000001e-04 7.694958423857917e-02 +1.049760000000000e-03 -7.984460681399410e-01 +3.401222400000001e-03 1.307073777493048e+00 +1.101996057600000e-02 -2.395793048412017e+00 +3.570467226624002e-02 5.907602504781551e-01 +1.156831381426176e-01 -2.017414191503363e+00 +3.748133675820811e-01 -5.848467906719605e+00 +1.214395310965943e+00 -9.248104724545158e+00 +3.934640807529656e+00 -2.098749558297231e+01 +1.274823621639609e+01 -7.424503302421272e+00 +4.130428534112331e+01 -1.122083483855386e+01 +1.338258845052396e+02 -4.435385417283214e+00 +4.335958657969762e+02 -1.538122081742586e+00 +1.404850605182203e+03 -2.060216449916453e+00 +#BASIS SET: (13s) -> [1s] +Ho s +1.049760000000000e-03 -3.503572323696744e-01 +3.401222400000001e-03 1.158426070992391e-01 +1.101996057600000e-02 -7.358242247082671e-01 +3.570467226624002e-02 -5.033052769795177e-02 +1.156831381426176e-01 -1.808917473870679e+00 +3.748133675820811e-01 -5.476455492280365e+00 +1.214395310965943e+00 -1.006082647047879e+01 +3.934640807529656e+00 -2.110440806686529e+01 +1.274823621639609e+01 -8.429822144913487e+00 +4.130428534112331e+01 -1.046602105803322e+01 +1.338258845052396e+02 -5.221970370592317e+00 +4.335958657969762e+02 -1.180051038347301e+00 +1.404850605182203e+03 -2.230858506941900e+00 +#BASIS SET: (12s) -> [1s] +Er s +1.049760000000000e-03 -1.437877995864305e-01 +3.401222400000001e-03 -3.525303453402699e-01 +1.101996057600000e-02 3.207413917539270e-01 +3.570467226624002e-02 -6.780429024155410e-01 +1.156831381426176e-01 -1.288412411795434e+00 +3.748133675820811e-01 -5.735299015765122e+00 +1.214395310965943e+00 -1.017786669915131e+01 +3.934640807529656e+00 -2.198738163934104e+01 +1.274823621639609e+01 -8.123826905692113e+00 +4.130428534112331e+01 -1.235143184051049e+01 +1.338258845052396e+02 -1.492811529402388e+00 +4.335958657969762e+02 -5.989350302753792e+00 +#BASIS SET: (11s) -> [1s] +Tm s +3.401222400000001e-03 -1.563622009758561e-01 +1.101996057600000e-02 -6.927340804622446e-01 +3.570467226624002e-02 -1.117490643736119e-01 +1.156831381426176e-01 -1.704371310052579e+00 +3.748133675820811e-01 -5.130461817673449e+00 +1.214395310965943e+00 -9.948632786415146e+00 +3.934640807529656e+00 -2.260518457107628e+01 +1.274823621639609e+01 -8.726929578991985e+00 +4.130428534112331e+01 -1.209669085982750e+01 +1.338258845052396e+02 -1.764910240628524e+00 +4.335958657969762e+02 -6.061973489522821e+00 +#BASIS SET: (10s) -> [1s] +Yb s +1.101996057600000e-02 -1.547149174321950e+00 +3.570467226624002e-02 3.787112264143317e-01 +1.156831381426176e-01 -1.655686785605070e+00 +3.748133675820811e-01 -5.709029213838676e+00 +1.214395310965943e+00 -8.522252439938029e+00 +3.934640807529656e+00 -2.383432294276827e+01 +1.274823621639609e+01 -8.885889644353028e+00 +4.130428534112331e+01 -1.219354152573396e+01 +1.338258845052396e+02 -1.833375025428722e+00 +4.335958657969762e+02 -6.197464474426624e+00 +#BASIS SET: (11s) -> [1s] +Lu s +3.401222400000001e-03 -3.359415453323678e-01 +1.101996057600000e-02 -6.646738755393642e-01 +3.570467226624002e-02 -1.255646200225101e+00 +1.156831381426176e-01 -7.971435464340857e-01 +3.748133675820811e-01 -6.065269676392973e+00 +1.214395310965943e+00 -7.612825372638326e+00 +3.934640807529656e+00 -2.437255119525162e+01 +1.274823621639609e+01 -9.581624590469801e+00 +4.130428534112331e+01 -1.194863330610315e+01 +1.338258845052396e+02 -2.084534959871235e+00 +4.335958657969762e+02 -6.281155731741990e+00 +#BASIS SET: (11s) -> [1s] +Hf s +1.101996057600000e-02 -6.916612283364216e-01 +3.570467226624002e-02 -7.509168359436558e-02 +1.156831381426176e-01 -2.428091268609649e+00 +3.748133675820811e-01 -5.496490372675908e+00 +1.214395310965943e+00 -9.325060628550318e+00 +3.934640807529656e+00 -2.173149987936813e+01 +1.274823621639609e+01 -1.365507936861650e+01 +4.130428534112331e+01 -7.299159460177179e+00 +1.338258845052396e+02 -8.521979767992889e+00 +4.335958657969762e+02 1.860402952934237e-01 +1.404850605182203e+03 -2.961926637372073e+00 +#BASIS SET: (11s) -> [1s] +Ta s +1.101996057600000e-02 -3.561921928970158e-01 +3.570467226624002e-02 -5.830415802310682e-01 +1.156831381426176e-01 -1.575035476153062e+00 +3.748133675820811e-01 -6.822350646383143e+00 +1.214395310965943e+00 -8.808188835824012e+00 +3.934640807529656e+00 -2.151419445852480e+01 +1.274823621639609e+01 -1.480184496921447e+01 +4.130428534112331e+01 -6.769696593986737e+00 +1.338258845052396e+02 -9.063986600143835e+00 +4.335958657969762e+02 3.791959460468206e-01 +1.404850605182203e+03 -3.084664592688682e+00 +#BASIS SET: (11s) -> [1s] +W s +1.101996057600000e-02 -4.690672408373544e-01 +3.570467226624002e-02 -4.524511190912648e-01 +1.156831381426176e-01 -1.850442000116402e+00 +3.748133675820811e-01 -6.785361807902291e+00 +1.214395310965943e+00 -8.908113380732175e+00 +3.934640807529656e+00 -2.101920614436403e+01 +1.274823621639609e+01 -1.605719166963354e+01 +4.130428534112331e+01 -6.207918075400812e+00 +1.338258845052396e+02 -9.617758541015064e+00 +4.335958657969762e+02 5.768094324339472e-01 +1.404850605182203e+03 -3.209299453341004e+00 +#BASIS SET: (11s) -> [1s] +Re s +1.101996057600000e-02 -9.194349519417102e-01 +3.570467226624002e-02 -6.411148651126837e-01 +1.156831381426176e-01 -7.100704013257655e-01 +3.748133675820811e-01 -7.890661434706999e+00 +1.214395310965943e+00 -8.506950384485435e+00 +3.934640807529656e+00 -2.073240100086241e+01 +1.274823621639609e+01 -1.712316065789855e+01 +4.130428534112331e+01 -5.822499043722928e+00 +1.338258845052396e+02 -1.004136385695529e+01 +4.335958657969762e+02 7.000007840433682e-01 +1.404850605182203e+03 -3.312344187031599e+00 +#BASIS SET: (11s) -> [1s] +Os s +1.101996057600000e-02 -8.482139503927222e-01 +3.570467226624002e-02 -7.066296007992605e-01 +1.156831381426176e-01 -8.865530679482845e-01 +3.748133675820811e-01 -7.580048885997257e+00 +1.214395310965943e+00 -9.420985153190486e+00 +3.934640807529656e+00 -1.954138876670413e+01 +1.274823621639609e+01 -1.871630765385635e+01 +4.130428534112331e+01 -5.110190867266283e+00 +1.338258845052396e+02 -1.067887324541334e+01 +4.335958657969762e+02 9.387419838276401e-01 +1.404850605182203e+03 -3.449550792259529e+00 +#BASIS SET: (11s) -> [1s] +Ir s +1.101996057600000e-02 -2.962158935649484e-01 +3.570467226624002e-02 -1.052037785638305e+00 +1.156831381426176e-01 -3.007485381022548e-01 +3.748133675820811e-01 -7.849334832580439e+00 +1.214395310965943e+00 -1.124760890864309e+01 +3.934640807529656e+00 -1.753677872616845e+01 +1.274823621639609e+01 -2.074071368057048e+01 +4.130428534112331e+01 -4.154160345058699e+00 +1.338258845052396e+02 -1.147016903427902e+01 +4.335958657969762e+02 1.257689006126384e+00 +1.404850605182203e+03 -3.609921261520697e+00 +#BASIS SET: (10s) -> [1s] +Pt s +3.570467226624002e-02 -1.648924160045953e+00 +1.156831381426176e-01 5.041729140094944e-01 +3.748133675820811e-01 -8.356968488095106e+00 +1.214395310965943e+00 -1.186798937598422e+01 +3.934640807529656e+00 -1.679009336141735e+01 +1.274823621639609e+01 -2.172068752319501e+01 +4.130428534112331e+01 -4.009397688039826e+00 +1.338258845052396e+02 -1.169186492836889e+01 +4.335958657969762e+02 1.259311195010923e+00 +1.404850605182203e+03 -3.677558583874060e+00 +#BASIS SET: (11s) -> [1s] +Au s +1.101996057600000e-02 -4.696779350180300e-01 +3.570467226624002e-02 -7.508473336037724e-01 +1.156831381426176e-01 -8.143831456513340e-01 +3.748133675820811e-01 -6.918245427809666e+00 +1.214395310965943e+00 -1.328571708283675e+01 +3.934640807529656e+00 -1.564281898717763e+01 +1.274823621639609e+01 -2.296351414879246e+01 +4.130428534112331e+01 -3.672324704353741e+00 +1.338258845052396e+02 -1.205337982572746e+01 +4.335958657969762e+02 1.340654089108284e+00 +1.404850605182203e+03 -3.769745498137439e+00 +#BASIS SET: (11s) -> [1s] +Hg s +1.101996057600000e-02 -6.557844325484190e-01 +3.570467226624002e-02 -8.375545627052361e-01 +1.156831381426176e-01 -4.745615673195971e-01 +3.748133675820811e-01 -7.377684107713549e+00 +1.214395310965943e+00 -1.303828967821050e+01 +3.934640807529656e+00 -1.580901104650820e+01 +1.274823621639609e+01 -2.314189696820358e+01 +4.130428534112331e+01 -4.162249815370160e+00 +1.338258845052396e+02 -1.183393153281941e+01 +4.335958657969762e+02 1.097750230695965e+00 +1.404850605182203e+03 -3.766786519297312e+00 +#BASIS SET: (12s) -> [1s] +Tl s +3.401222400000001e-03 -2.139651093389325e-01 +1.101996057600000e-02 -4.579387114637825e-01 +3.570467226624002e-02 -9.626957569795422e-01 +1.156831381426176e-01 -1.134965363273977e+00 +3.748133675820811e-01 -6.321276051144650e+00 +1.214395310965943e+00 -1.390942893328975e+01 +3.934640807529656e+00 -1.517086798983655e+01 +1.274823621639609e+01 -2.389706317867967e+01 +4.130428534112331e+01 -4.222044725469459e+00 +1.338258845052396e+02 -1.192186126516026e+01 +4.335958657969762e+02 1.027846504499394e+00 +1.404850605182203e+03 -3.815739419862823e+00 +#BASIS SET: (11s) -> [1s] +Pb s +1.101996057600000e-02 -3.592808750522671e-01 +3.570467226624002e-02 -8.718352522854218e-01 +1.156831381426176e-01 -2.591057554411236e+00 +3.748133675820811e-01 -5.391087149201098e+00 +1.214395310965943e+00 -1.394945241696405e+01 +3.934640807529656e+00 -1.540388657788117e+01 +1.274823621639609e+01 -2.388931250335554e+01 +4.130428534112331e+01 -4.882788707567670e+00 +1.338258845052396e+02 -1.158824091784118e+01 +4.335958657969762e+02 7.229336766285996e-01 +1.404850605182203e+03 -3.795991722068976e+00 +#BASIS SET: (11s) -> [1s] +Bi s +1.101996057600000e-02 -3.482362438371531e-01 +3.570467226624002e-02 -1.402791335053735e+00 +1.156831381426176e-01 -1.613110893208841e+00 +3.748133675820811e-01 -6.465104940425135e+00 +1.214395310965943e+00 -1.354309515064665e+01 +3.934640807529656e+00 -1.546767875584101e+01 +1.274823621639609e+01 -2.411426802658025e+01 +4.130428534112331e+01 -5.338724458277284e+00 +1.338258845052396e+02 -1.141207118783132e+01 +4.335958657969762e+02 5.092785839406133e-01 +1.404850605182203e+03 -3.804197592239248e+00 +#BASIS SET: (11s) -> [1s] +Po s +1.101996057600000e-02 -6.675306485821544e-01 +3.570467226624002e-02 -8.234756587920344e-01 +1.156831381426176e-01 -2.322647198911909e+00 +3.748133675820811e-01 -6.247379420122684e+00 +1.214395310965943e+00 -1.370070827826294e+01 +3.934640807529656e+00 -1.526942749648515e+01 +1.274823621639609e+01 -2.446894328388953e+01 +4.130428534112331e+01 -5.707231756343390e+00 +1.338258845052396e+02 -1.130197116794443e+01 +4.335958657969762e+02 3.337719347364327e-01 +1.404850605182203e+03 -3.824457025402211e+00 +#BASIS SET: (11s) -> [1s] +At s +1.101996057600000e-02 -3.772038183751505e-01 +3.570467226624002e-02 -1.356097498758857e+00 +1.156831381426176e-01 -1.984024292670824e+00 +3.748133675820811e-01 -6.972990409060117e+00 +1.214395310965943e+00 -1.320222466027735e+01 +3.934640807529656e+00 -1.555485626492646e+01 +1.274823621639609e+01 -2.441418828052156e+01 +4.130428534112331e+01 -6.391832529570820e+00 +1.338258845052396e+02 -1.097499228866582e+01 +4.335958657969762e+02 3.856108174295514e-02 +1.404850605182203e+03 -3.810151038916004e+00 +#BASIS SET: (10s) -> [1s] +Rn s +3.570467226624002e-02 -2.150476685092233e+00 +1.156831381426176e-01 -1.046287990685911e+00 +3.748133675820811e-01 -8.475579290611336e+00 +1.214395310965943e+00 -1.210150589795700e+01 +3.934640807529656e+00 -1.631509484528465e+01 +1.274823621639609e+01 -2.394907854223038e+01 +4.130428534112331e+01 -7.393727714376837e+00 +1.338258845052396e+02 -1.043026205105252e+01 +4.335958657969762e+02 -3.768665734005481e-01 +1.404850605182203e+03 -3.761120409308589e+00 +#BASIS SET: (12s) -> [1s] +Fr s +3.401222400000001e-03 -3.252771854274989e-01 +1.101996057600000e-02 -6.399977995926633e-01 +3.570467226624002e-02 -3.891854305198876e-01 +1.156831381426176e-01 -3.620938196630050e+00 +3.748133675820811e-01 -5.746557403365387e+00 +1.214395310965943e+00 -1.441501825084288e+01 +3.934640807529656e+00 -1.446624758228063e+01 +1.274823621639609e+01 -2.548595019074128e+01 +4.130428534112331e+01 -6.859246300722589e+00 +1.338258845052396e+02 -1.097871257564111e+01 +4.335958657969762e+02 -1.783872583728225e-01 +1.404850605182203e+03 -3.894481825863210e+00 +#BASIS SET: (12s) -> [1s] +Ra s +3.401222400000001e-03 -2.451465997194191e-01 +1.101996057600000e-02 -1.646604962208244e+00 +3.570467226624002e-02 9.017850548950150e-01 +1.156831381426176e-01 -4.773937356997749e+00 +3.748133675820811e-01 -5.220325299193519e+00 +1.214395310965943e+00 -1.444415530989318e+01 +3.934640807529656e+00 -1.460075560796940e+01 +1.274823621639609e+01 -2.538183221229701e+01 +4.130428534112331e+01 -7.595754137229960e+00 +1.338258845052396e+02 -1.063322628781316e+01 +4.335958657969762e+02 -4.791911578140571e-01 +1.404850605182203e+03 -3.880856123759315e+00 +#BASIS SET: (12s) -> [1s] +Ac s +3.401222400000001e-03 -2.140072686890697e-01 +1.101996057600000e-02 -1.467871107699011e+00 +3.570467226624002e-02 2.882504957314040e-01 +1.156831381426176e-01 -4.358092590757678e+00 +3.748133675820811e-01 -6.057047767065342e+00 +1.214395310965943e+00 -1.360584754049523e+01 +3.934640807529656e+00 -1.525618556319387e+01 +1.274823621639609e+01 -2.490662181971129e+01 +4.130428534112331e+01 -8.591187531055766e+00 +1.338258845052396e+02 -1.011871483577124e+01 +4.335958657969762e+02 -8.717982670150377e-01 +1.404850605182203e+03 -3.840876204277862e+00 +#BASIS SET: (11s) -> [1s] +Th s +1.101996057600000e-02 -7.095585001822435e-01 +3.570467226624002e-02 -3.800415054794541e-01 +1.156831381426176e-01 -4.324691980460898e+00 +3.748133675820811e-01 -7.301803310994728e+00 +1.214395310965943e+00 -1.289000939910693e+01 +3.934640807529656e+00 -1.547264514781818e+01 +1.274823621639609e+01 -2.487521428102627e+01 +4.130428534112331e+01 -9.202527588786324e+00 +1.338258845052396e+02 -9.893758863625408e+00 +4.335958657969762e+02 -1.099351811622910e+00 +1.404850605182203e+03 -3.850397610896650e+00 +#BASIS SET: (12s) -> [1s] +Pa s +3.401222400000001e-03 -3.071168562976005e-01 +1.101996057600000e-02 -4.641527925413413e-01 +3.570467226624002e-02 -6.504651944588886e-01 +1.156831381426176e-01 -3.056511283445843e+00 +3.748133675820811e-01 -6.741022542602423e+00 +1.214395310965943e+00 -1.576675526198960e+01 +3.934640807529656e+00 -1.419695919858714e+01 +1.274823621639609e+01 -2.519368512639994e+01 +4.130428534112331e+01 -9.762157642689999e+00 +1.338258845052396e+02 -9.695182328105147e+00 +4.335958657969762e+02 -1.295929078649351e+00 +1.404850605182203e+03 -3.870062694232729e+00 +#BASIS SET: (12s) -> [1s] +U s +3.401222400000001e-03 -5.190865296370220e-01 +1.101996057600000e-02 5.190521732672835e-01 +3.570467226624002e-02 -1.421475140374866e+00 +1.156831381426176e-01 -1.926755097832938e+00 +3.748133675820811e-01 -7.912435185658524e+00 +1.214395310965943e+00 -1.604684806610203e+01 +3.934640807529656e+00 -1.457065422594496e+01 +1.274823621639609e+01 -2.456397279317753e+01 +4.130428534112331e+01 -1.090901572984149e+01 +1.338258845052396e+02 -9.114497459377162e+00 +4.335958657969762e+02 -1.707370088432071e+00 +1.404850605182203e+03 -3.826941856888695e+00 +#BASIS SET: (11s) -> [1s] +Np s +1.101996057600000e-02 -3.901881443470430e-01 +3.570467226624002e-02 -5.833935201937379e-01 +1.156831381426176e-01 -2.293112796129662e+00 +3.748133675820811e-01 -7.391247633834269e+00 +1.214395310965943e+00 -1.730105804512414e+01 +3.934640807529656e+00 -1.436931735837152e+01 +1.274823621639609e+01 -2.439117153262305e+01 +4.130428534112331e+01 -1.166853189436551e+01 +1.338258845052396e+02 -8.825675003703509e+00 +4.335958657969762e+02 -1.952316849990893e+00 +1.404850605182203e+03 -3.833987221316676e+00 +#BASIS SET: (12s) -> [1s] +Pu s +3.401222400000001e-03 -2.247305865765057e-01 +1.101996057600000e-02 -7.138833579314792e-01 +3.570467226624002e-02 -9.310312300101486e-02 +1.156831381426176e-01 -3.065377499993247e+00 +3.748133675820811e-01 -5.983307976949163e+00 +1.214395310965943e+00 -1.836595622071945e+01 +3.934640807529656e+00 -1.441548045539821e+01 +1.274823621639609e+01 -2.410326625826201e+01 +4.130428534112331e+01 -1.246791823221065e+01 +1.338258845052396e+02 -8.521193807609961e+00 +4.335958657969762e+02 -2.206622666573821e+00 +1.404850605182203e+03 -3.839159814774490e+00 +#BASIS SET: (12s) -> [1s] +Am s +3.401222400000001e-03 -1.490089650004727e-01 +1.101996057600000e-02 -1.605557901311073e+00 +3.570467226624002e-02 7.776220694625522e-01 +1.156831381426176e-01 -3.608522389286236e+00 +3.748133675820811e-01 -5.742781803799517e+00 +1.214395310965943e+00 -1.790717668615071e+01 +3.934640807529656e+00 -1.568027531292319e+01 +1.274823621639609e+01 -2.291436810875166e+01 +4.130428534112331e+01 -1.391778610393885e+01 +1.338258845052396e+02 -7.772354569817253e+00 +4.335958657969762e+02 -2.707636988587183e+00 +1.404850605182203e+03 -3.772153239896411e+00 +#BASIS SET: (12s) -> [1s] +Cm s +3.401222400000001e-03 -1.314605457594062e-01 +1.101996057600000e-02 -1.428380346094372e+00 +3.570467226624002e-02 2.604100411467698e-01 +1.156831381426176e-01 -3.303651332166510e+00 +3.748133675820811e-01 -6.235187722685623e+00 +1.214395310965943e+00 -1.724434009107335e+01 +3.934640807529656e+00 -1.673051174686043e+01 +1.274823621639609e+01 -2.204984236404925e+01 +4.130428534112331e+01 -1.505461326980003e+01 +1.338258845052396e+02 -7.264887640074448e+00 +4.335958657969762e+02 -3.070874912315048e+00 +1.404850605182203e+03 -3.746660070268291e+00 +#BASIS SET: (12s) -> [1s] +Bk s +3.401222400000001e-03 -1.274911945536168e-01 +1.101996057600000e-02 -1.576825669990086e+00 +3.570467226624002e-02 6.932816580281838e-01 +1.156831381426176e-01 -3.327321904362634e+00 +3.748133675820811e-01 -5.761118795447146e+00 +1.214395310965943e+00 -1.831008048983585e+01 +3.934640807529656e+00 -1.720205992899901e+01 +1.274823621639609e+01 -2.132840153266807e+01 +4.130428534112331e+01 -1.609943484722680e+01 +1.338258845052396e+02 -6.850589455822046e+00 +4.335958657969762e+02 -3.368768392694619e+00 +1.404850605182203e+03 -3.741189446428308e+00 +#BASIS SET: (12s) -> [1s] +Cf s +3.401222400000001e-03 -2.088429989368983e-01 +1.101996057600000e-02 -8.694359995986076e-01 +3.570467226624002e-02 2.826673048647876e-01 +1.156831381426176e-01 -3.028117268730512e+00 +3.748133675820811e-01 -5.422635110131523e+00 +1.214395310965943e+00 -1.968467671685357e+01 +3.934640807529656e+00 -1.725368396981685e+01 +1.274823621639609e+01 -2.105361070969593e+01 +4.130428534112331e+01 -1.673493121434512e+01 +1.338258845052396e+02 -6.750332786858053e+00 +4.335958657969762e+02 -3.486862316975021e+00 +1.404850605182203e+03 -3.789538212922693e+00 +#BASIS SET: (11s) -> [1s] +Es s +1.101996057600000e-02 -3.221797305040397e-01 +3.570467226624002e-02 -4.065904918535921e-01 +1.156831381426176e-01 -2.130545138042464e+00 +3.748133675820811e-01 -6.023779117103004e+00 +1.214395310965943e+00 -2.007510772328578e+01 +3.934640807529656e+00 -1.816508950479056e+01 +1.274823621639609e+01 -2.016182343339096e+01 +4.130428534112331e+01 -1.779077653144850e+01 +1.338258845052396e+02 -6.374650976056728e+00 +4.335958657969762e+02 -3.755441037312266e+00 +1.404850605182203e+03 -3.794016316212094e+00 +#BASIS SET: (11s) -> [1s] +Fm s +1.101996057600000e-02 -1.185440774549704e-01 +3.570467226624002e-02 -8.376116046055131e-01 +1.156831381426176e-01 -1.617937866778846e+00 +3.748133675820811e-01 -6.101003528269985e+00 +1.214395310965943e+00 -2.006497213516423e+01 +3.934640807529656e+00 -1.945735817600871e+01 +1.274823621639609e+01 -1.905725436923785e+01 +4.130428534112331e+01 -1.897046512509405e+01 +1.338258845052396e+02 -5.919363023462211e+00 +4.335958657969762e+02 -4.069988736402593e+00 +1.404850605182203e+03 -3.785501357521042e+00 +#BASIS SET: (12s) -> [1s] +Md s +3.401222400000001e-03 -1.914442144765864e-01 +1.101996057600000e-02 -7.299860575906223e-01 +3.570467226624002e-02 7.608782863457009e-02 +1.156831381426176e-01 -2.760437143253284e+00 +3.748133675820811e-01 -4.717288171827931e+00 +1.214395310965943e+00 -2.031187185364161e+01 +3.934640807529656e+00 -2.045333576373378e+01 +1.274823621639609e+01 -1.830708618756762e+01 +4.130428534112331e+01 -1.984465274307149e+01 +1.338258845052396e+02 -5.680657768254605e+00 +4.335958657969762e+02 -4.266983339270155e+00 +1.404850605182203e+03 -3.812344585946889e+00 +#BASIS SET: (13s) -> [1s] +No s +3.401222400000001e-03 -1.017575469943495e-01 +1.101996057600000e-02 -1.528565737266035e+00 +3.570467226624002e-02 5.860282766989258e-01 +1.156831381426176e-01 -2.764422352309339e+00 +3.748133675820811e-01 -5.234462629916379e+00 +1.214395310965943e+00 -1.866224429017166e+01 +3.934640807529656e+00 -2.296813467718312e+01 +1.274823621639609e+01 -1.608690827662940e+01 +4.130428534112331e+01 -2.262996339521487e+01 +1.338258845052396e+02 -2.417335223784903e+00 +4.335958657969762e+02 -9.150225188524928e+00 +1.404850605182203e+03 1.330855018080911e+00 +4.551715960790338e+03 -2.372863976784856e+00 +#BASIS SET: (13s) -> [1s] +Lr s +3.401222400000001e-03 -3.400633789153744e-01 +1.101996057600000e-02 -9.017444382752728e-01 +3.570467226624002e-02 -8.484921366107301e-01 +1.156831381426176e-01 -1.979579039034434e+00 +3.748133675820811e-01 -5.480871196225053e+00 +1.214395310965943e+00 -1.761250453733373e+01 +3.934640807529656e+00 -2.458542880174355e+01 +1.274823621639609e+01 -1.506712643112405e+01 +4.130428534112331e+01 -2.364678451331565e+01 +1.338258845052396e+02 -2.046551019389881e+00 +4.335958657969762e+02 -9.516918824287131e+00 +1.404850605182203e+03 1.475845179695170e+00 +4.551715960790338e+03 -2.449780863440310e+00 +#BASIS SET: (11s) -> [1s] +Rf s +1.101996057600000e-02 -6.581470405811736e-01 +3.570467226624002e-02 -1.028569947387723e-01 +1.156831381426176e-01 -3.141844753763905e+00 +3.748133675820811e-01 -5.739307205886689e+00 +1.214395310965943e+00 -1.809314132935060e+01 +3.934640807529656e+00 -2.389871964881786e+01 +1.274823621639609e+01 -1.648871843936104e+01 +4.130428534112331e+01 -2.186104776434149e+01 +1.338258845052396e+02 -5.457619858440012e+00 +4.335958657969762e+02 -4.581314305032720e+00 +1.404850605182203e+03 -3.977282659685741e+00 +#BASIS SET: (11s) -> [1s] +Db s +1.101996057600000e-02 -3.613857668144504e-01 +3.570467226624002e-02 -5.583526047043392e-01 +1.156831381426176e-01 -2.396381268178743e+00 +3.748133675820811e-01 -7.128074371775938e+00 +1.214395310965943e+00 -1.696711836777376e+01 +3.934640807529656e+00 -2.500420840418428e+01 +1.274823621639609e+01 -1.603250579888481e+01 +4.130428534112331e+01 -2.237615111563719e+01 +1.338258845052396e+02 -5.501972551996005e+00 +4.335958657969762e+02 -4.622037037959672e+00 +1.404850605182203e+03 -4.051812712090808e+00 +#BASIS SET: (11s) -> [1s] +Sg s +1.101996057600000e-02 -6.227807181713487e-01 +3.570467226624002e-02 -1.715450570792143e-01 +1.156831381426176e-01 -3.024871491740953e+00 +3.748133675820811e-01 -6.785966067001937e+00 +1.214395310965943e+00 -1.683720798057129e+01 +3.934640807529656e+00 -2.550259132233441e+01 +1.274823621639609e+01 -1.602636257545964e+01 +4.130428534112331e+01 -2.254251463215041e+01 +1.338258845052396e+02 -5.793169681586733e+00 +4.335958657969762e+02 -4.525788356537305e+00 +1.404850605182203e+03 -4.167202117366742e+00 +#BASIS SET: (11s) -> [1s] +Bh s +1.101996057600000e-02 -1.180765814894361e+00 +3.570467226624002e-02 -1.598190868905363e-01 +1.156831381426176e-01 -1.960450936628831e+00 +3.748133675820811e-01 -8.234973903068749e+00 +1.214395310965943e+00 -1.546790688557576e+01 +3.934640807529656e+00 -2.678866876143547e+01 +1.274823621639609e+01 -1.547165854396371e+01 +4.130428534112331e+01 -2.310538211926905e+01 +1.338258845052396e+02 -5.808567134394252e+00 +4.335958657969762e+02 -4.584846247664245e+00 +1.404850605182203e+03 -4.236960566215032e+00 +#BASIS SET: (11s) -> [1s] +Hs s +1.101996057600000e-02 -5.890015857583322e-01 +3.570467226624002e-02 -5.970337470940308e-01 +1.156831381426176e-01 -1.467454371247413e+00 +3.748133675820811e-01 -8.847604364830886e+00 +1.214395310965943e+00 -1.628177367056742e+01 +3.934640807529656e+00 -2.585836400731750e+01 +1.274823621639609e+01 -1.669253416981155e+01 +4.130428534112331e+01 -2.231280451899147e+01 +1.338258845052396e+02 -6.774763149180217e+00 +4.335958657969762e+02 -4.115947473605047e+00 +1.404850605182203e+03 -4.462718941596137e+00 +#BASIS SET: (11s) -> [1s] +Mt s +1.101996057600000e-02 -2.918970290239216e-01 +3.570467226624002e-02 -1.125172272556938e+00 +1.156831381426176e-01 -7.533092037026563e-01 +3.748133675820811e-01 -9.673484048706086e+00 +1.214395310965943e+00 -1.617216228456891e+01 +3.934640807529656e+00 -2.594975859917758e+01 +1.274823621639609e+01 -1.706204003081984e+01 +4.130428534112331e+01 -2.217605704904054e+01 +1.338258845052396e+02 -7.275577141583199e+00 +4.335958657969762e+02 -3.909313486918109e+00 +1.404850605182203e+03 -4.611228853902219e+00 +#BASIS SET: (10s) -> [1s] +Ds s +3.570467226624002e-02 -1.759346684968509e+00 +1.156831381426176e-01 1.921279512435348e-01 +3.748133675820811e-01 -1.064278890327668e+01 +1.214395310965943e+00 -1.602500609530966e+01 +3.934640807529656e+00 -2.608386155297444e+01 +1.274823621639609e+01 -1.737581113282931e+01 +4.130428534112331e+01 -2.208791991790986e+01 +1.338258845052396e+02 -7.737554881983669e+00 +4.335958657969762e+02 -3.727229519969114e+00 +1.404850605182203e+03 -4.752609262022290e+00 +#BASIS SET: (11s) -> [1s] +Rg s +1.101996057600000e-02 -5.930773108522516e-01 +3.570467226624002e-02 -6.536824041961040e-01 +1.156831381426176e-01 -1.324147312942216e+00 +3.748133675820811e-01 -9.129720042140889e+00 +1.214395310965943e+00 -1.725240577279601e+01 +3.934640807529656e+00 -2.535261040857677e+01 +1.274823621639609e+01 -1.834452055824659e+01 +4.130428534112331e+01 -2.149366407397611e+01 +1.338258845052396e+02 -8.556304709243705e+00 +4.335958657969762e+02 -3.346943999960786e+00 +1.404850605182203e+03 -4.952923407068582e+00 +#BASIS SET: (11s) -> [1s] +Cn s +1.101996057600000e-02 -8.488393951519200e-01 +3.570467226624002e-02 -6.235376551353795e-01 +1.156831381426176e-01 -1.061792794012263e+00 +3.748133675820811e-01 -9.697229248933581e+00 +1.214395310965943e+00 -1.661735556627946e+01 +3.934640807529656e+00 -2.608731612675092e+01 +1.274823621639609e+01 -1.817021107398978e+01 +4.130428534112331e+01 -2.177148402674356e+01 +1.338258845052396e+02 -8.757119528105250e+00 +4.335958657969762e+02 -3.314606521325913e+00 +1.404850605182203e+03 -5.050508063571982e+00 +#BASIS SET: (12s) -> [1s] +Nh s +3.401222400000001e-03 -2.270166811588439e-01 +1.101996057600000e-02 -5.448012642200979e-01 +3.570467226624002e-02 -1.037955510751203e+00 +1.156831381426176e-01 -1.332958784502125e+00 +3.748133675820811e-01 -9.031529912201222e+00 +1.214395310965943e+00 -1.704807207589147e+01 +3.934640807529656e+00 -2.596419346648509e+01 +1.274823621639609e+01 -1.867691533381003e+01 +4.130428534112331e+01 -2.152217850003581e+01 +1.338258845052396e+02 -9.328341309119423e+00 +4.335958657969762e+02 -3.077032831752149e+00 +1.404850605182203e+03 -5.209004330072545e+00 +#BASIS SET: (11s) -> [1s] +Fl s +1.101996057600000e-02 -4.282783777144630e-01 +3.570467226624002e-02 -1.073987975288503e+00 +1.156831381426176e-01 -2.897512872875154e+00 +3.748133675820811e-01 -7.585464587306433e+00 +1.214395310965943e+00 -1.758498812545577e+01 +3.934640807529656e+00 -2.592288622055457e+01 +1.274823621639609e+01 -1.907635702469088e+01 +4.130428534112331e+01 -2.136462941133505e+01 +1.338258845052396e+02 -9.828957184130559e+00 +4.335958657969762e+02 -2.881802308736951e+00 +1.404850605182203e+03 -5.355135911911674e+00 +#BASIS SET: (11s) -> [1s] +Mc s +1.101996057600000e-02 -4.611121225579780e-01 +3.570467226624002e-02 -1.565616723752754e+00 +1.156831381426176e-01 -1.802261562872502e+00 +3.748133675820811e-01 -9.111413702160917e+00 +1.214395310965943e+00 -1.640982594882962e+01 +3.934640807529656e+00 -2.679285902569791e+01 +1.274823621639609e+01 -1.889402120932755e+01 +4.130428534112331e+01 -2.161697489708604e+01 +1.338258845052396e+02 -1.004534583667555e+01 +4.335958657969762e+02 -2.846201251857565e+00 +1.404850605182203e+03 -5.454367719181619e+00 +#BASIS SET: (11s) -> [1s] +Lv s +1.101996057600000e-02 -7.786498218827269e-01 +3.570467226624002e-02 -9.803142396565363e-01 +1.156831381426176e-01 -2.603639927377571e+00 +3.748133675820811e-01 -8.816503868031305e+00 +1.214395310965943e+00 -1.644421890150852e+01 +3.934640807529656e+00 -2.680742861819999e+01 +1.274823621639609e+01 -1.935165221714487e+01 +4.130428534112331e+01 -2.138633722085797e+01 +1.338258845052396e+02 -1.059711474907090e+01 +4.335958657969762e+02 -2.625712105706043e+00 +1.404850605182203e+03 -5.608428330563569e+00 +#BASIS SET: (11s) -> [1s] +Ts s +1.101996057600000e-02 -4.850186543275612e-01 +3.570467226624002e-02 -1.556690451085473e+00 +1.156831381426176e-01 -2.262603919297135e+00 +3.748133675820811e-01 -9.581719571661097e+00 +1.214395310965943e+00 -1.569415350016425e+01 +3.934640807529656e+00 -2.738202716063915e+01 +1.274823621639609e+01 -1.937593567776457e+01 +4.130428534112331e+01 -2.148824600953958e+01 +1.338258845052396e+02 -1.090969405722717e+01 +4.335958657969762e+02 -2.541593878078857e+00 +1.404850605182203e+03 -5.722317120215152e+00 +#BASIS SET: (11s) -> [1s] +Og s +1.101996057600000e-02 -3.001251117118429e-01 +3.570467226624002e-02 -1.756726153222672e+00 +1.156831381426176e-01 -2.280217579260352e+00 +3.748133675820811e-01 -1.017002193887083e+01 +1.214395310965943e+00 -1.515384941699040e+01 +3.934640807529656e+00 -2.772706147183999e+01 +1.274823621639609e+01 -1.959083594921321e+01 +4.130428534112331e+01 -2.144252415005030e+01 +1.338258845052396e+02 -1.132269027725124e+01 +4.335958657969762e+02 -2.403623679816519e+00 +1.404850605182203e+03 -5.852324271772630e+00 diff --git a/pyscf/scf/dhf.py b/pyscf/scf/dhf.py index 011b5bd0de..2b6ea2af72 100644 --- a/pyscf/scf/dhf.py +++ b/pyscf/scf/dhf.py @@ -149,6 +149,11 @@ def init_guess_by_1e(mol): '''Initial guess from one electron system.''' return UHF(mol).init_guess_by_1e(mol) +def init_guess_by_sapfit(mol): + '''Initial guess from superposition of fitted atomic potentials.''' + dm = hf.init_guess_by_sapfit(mol) + return _proj_dmll(mol, dm, mol) + def init_guess_by_atom(mol): '''Initial guess from atom calculation.''' dm = hf.init_guess_by_atom(mol) @@ -419,6 +424,11 @@ def init_guess_by_atom(self, mol=None): if mol is None: mol = self.mol return init_guess_by_atom(mol) + def init_guess_by_sapfit(self, mol=None): + if mol is None: mol = self.mol + logger.info(self, 'Initial guess from fitted SAP guess (arXiv:2002.02587, doi:10.1021/acs.jctc.8b01089).') + return init_guess_by_sapfit(mol) + @lib.with_doc(hf.SCF.init_guess_by_huckel.__doc__) def init_guess_by_huckel(self, mol=None): if mol is None: mol = self.mol diff --git a/pyscf/scf/hf.py b/pyscf/scf/hf.py index bdd83e2518..159f586b2d 100644 --- a/pyscf/scf/hf.py +++ b/pyscf/scf/hf.py @@ -33,6 +33,7 @@ from pyscf.scf import diis from pyscf.scf import _vhf from pyscf.scf import chkfile +from pyscf.scf.sapfit import sapfit_guess from pyscf.data import nist, elements from pyscf import __config__ @@ -593,13 +594,21 @@ def init_guess_by_chkfile(mol, chkfile_name, project=None): dm = uhf.init_guess_by_chkfile(mol, chkfile_name, project) return dm[0] + dm[1] +def init_guess_by_sapfit(mol): + '''Generate initial guess density matrix from superposition of atomic potentials + + Returns: + Density matrix, 2D ndarray + ''' + mf = RHF(mol) + return mf.init_guess_by_sapfit(mol) def get_init_guess(mol, key='minao'): '''Generate density matrix for initial guess Kwargs: key : str - One of 'minao', 'atom', 'huckel', 'hcore', '1e', 'chkfile'. + One of 'minao', 'atom', 'huckel', 'hcore', '1e', 'sapfit', 'chkfile'. ''' return RHF(mol).get_init_guess(mol, key) @@ -1550,6 +1559,18 @@ def init_guess_by_1e(self, mol=None): mo_occ = self.get_occ(mo_energy, mo_coeff) return self.make_rdm1(mo_coeff, mo_occ) + @lib.with_doc(init_guess_by_sapfit.__doc__) + def init_guess_by_sapfit(self, mol=None): + if mol is None: mol = self.mol + logger.info(self, 'Initial guess from fitted SAP guess (arXiv:2002.02587, doi:10.1021/acs.jctc.8b01089).') + + t = mol.intor_symmetric('int1e_kin') + vsap = sapfit_guess(mol) + s1e = self.get_ovlp(mol) + mo_energy, mo_coeff = self.eig(t + vsap, s1e) + mo_occ = self.get_occ(mo_energy, mo_coeff) + return self.make_rdm1(mo_coeff, mo_occ) + @lib.with_doc(init_guess_by_chkfile.__doc__) def init_guess_by_chkfile(self, chkfile=None, project=None): if isinstance(chkfile, gto.Mole): @@ -1575,6 +1596,8 @@ def get_init_guess(self, mol=None, key='minao'): dm = self.init_guess_by_1e(mol) elif key == 'atom': dm = self.init_guess_by_atom(mol) + elif key == 'sapfit': + dm = self.init_guess_by_sapfit(mol) elif key[:3] == 'chk': try: dm = self.init_guess_by_chkfile() diff --git a/pyscf/scf/rohf.py b/pyscf/scf/rohf.py index c060efd8d9..8b264730a8 100644 --- a/pyscf/scf/rohf.py +++ b/pyscf/scf/rohf.py @@ -43,6 +43,7 @@ def init_guess_by_atom(mol): return numpy.array((dm*.5, dm*.5)) init_guess_by_huckel = uhf.init_guess_by_huckel +init_guess_by_sapfit = uhf.init_guess_by_sapfit init_guess_by_chkfile = uhf.init_guess_by_chkfile def get_fock(mf, h1e=None, s1e=None, vhf=None, dm=None, cycle=-1, diis=None, @@ -355,6 +356,11 @@ def init_guess_by_atom(self, mol=None): logger.info(self, 'Initial guess from the superpostion of atomic densties.') return init_guess_by_atom(mol) + def init_guess_by_sapfit(self, mol=None): + if mol is None: mol = self.mol + logger.info(self, 'Initial guess from fitted SAP guess (arXiv:2002.02587, doi:10.1021/acs.jctc.8b01089).') + return init_guess_by_sapfit(mol) + def init_guess_by_huckel(self, mol=None): if mol is None: mol = self.mol logger.info(self, 'Initial guess from on-the-fly Huckel, doi:10.1021/acs.jctc.8b01089.') diff --git a/pyscf/scf/sapfit.py b/pyscf/scf/sapfit.py new file mode 100644 index 0000000000..48289b24f3 --- /dev/null +++ b/pyscf/scf/sapfit.py @@ -0,0 +1,115 @@ +# Copyright (c) 2020, Susi Lehtola +# All rights reserved. +# +# Redistribution and use in source and binary forms, with or without +# modification, are permitted provided that the following conditions are met: +# * Redistributions of source code must retain the above copyright +# notice, this list of conditions and the following disclaimer. +# * Redistributions in binary form must reproduce the above copyright +# notice, this list of conditions and the following disclaimer in the +# documentation and/or other materials provided with the distribution. +# * Neither the name of the nor the +# names of its contributors may be used to endorse or promote products +# derived from this software without specific prior written permission. +# +# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS +# "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT +# LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS +# FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE +# COPYRIGHT HOLDER BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, +# SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT +# LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF +# USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND +# ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, +# OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT +# OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF +# SUCH DAMAGE. +# +# Routines for the implementation of the fitted superposition of +# atomic potentials guess for electronic structure calculations, see +# +# S. Lehtola, L. Visscher, E. Engel, Efficient implementation of the +# superposition of atomic potentials initial guess for electronic +# structure calculations in Gaussian basis sets, J. Chem. Phys., in +# press (2020). +# +# and the original paper discussing the superposition of atomic +# potentials +# +# S. Lehtola, "Assessment of Initial Guesses for Self-Consistent Field +# Calculations. Superposition of Atomic Potentials: Simple yet +# Efficient", J. Chem. Theory Comput. 15, 1593 (2019). +# DOI: 10.1021/acs.jctc.8b01089 +# +# The guess is based on the screened charges of neutral atoms, given +# by exchange-only LDA on top of spherically symmetric unrestricted +# Hartree-Fock calculations. The potentials have been calculated for +# the ground-states of spherically symmetric atoms at the +# non-relativistic level of theory as described in +# +# S. Lehtola, "Fully numerical calculations on atoms with fractional +# occupations and range-separated exchange functionals", Phys. Rev. A +# 101, 012516 (2020). DOI: 10.1103/PhysRevA.101.012516 +# +# using accurate finite-element calculations as described in +# +# S. Lehtola, "Fully numerical Hartree-Fock and density functional +# calculations. I. Atoms", Int. J. Quantum Chem. e25945 (2019). +# DOI: 10.1002/qua.25945 + +import numpy +from pyscf.df.addons import make_auxmol +from pyscf.df.incore import aux_e2 + +def sapfit_guess(mol): + '''Routines for the implementation of the fitted superposition of + atomic potentials guess for electronic structure calculations, see + + S. Lehtola, L. Visscher, E. Engel, Efficient implementation of the + superposition of atomic potentials initial guess for electronic + structure calculations in Gaussian basis sets, J. Chem. Phys., in + press (2020). + + and the original paper discussing the superposition of atomic + potentials + + S. Lehtola, "Assessment of Initial Guesses for Self-Consistent Field + Calculations. Superposition of Atomic Potentials: Simple yet + Efficient", J. Chem. Theory Comput. 15, 1593 (2019). + DOI: 10.1021/acs.jctc.8b01089 + + The default guess is based on the screened charges of neutral + atoms, given by exchange-only LDA on top of spherically symmetric + unrestricted Hartree-Fock calculations. The potentials have been + calculated for the ground-states of spherically symmetric atoms at + the non-relativistic level of theory as described in + + S. Lehtola, "Fully numerical calculations on atoms with fractional + occupations and range-separated exchange functionals", Phys. Rev. A + 101, 012516 (2020). DOI: 10.1103/PhysRevA.101.012516 + + using accurate finite-element calculations as described in + + S. Lehtola, "Fully numerical Hartree-Fock and density functional + calculations. I. Atoms", Int. J. Quantum Chem. e25945 (2019). + DOI: 10.1002/qua.25945 + + Input: + mol: molecule + Output: + Vsap: estimated Coulomb + exchange + ''' + + # Auxiliary basis + pmol = make_auxmol(mol, auxbasis='helfemlarge') + + # TBD: skip ghost atoms + + # TBD: convert contraction coefficients so that they correspond to + # normalized density primitives + + # (ij|A) integrals + e2 = aux_e2(mol, pmol) + + # SAP effective potential is (minus sign from the definition) + return -numpy.sum(e2, axis=2) diff --git a/pyscf/scf/uhf.py b/pyscf/scf/uhf.py index 51ad32fb67..b4b5cbdb18 100644 --- a/pyscf/scf/uhf.py +++ b/pyscf/scf/uhf.py @@ -50,6 +50,9 @@ def init_guess_by_minao(mol, breaksym=BREAKSYM): def init_guess_by_1e(mol, breaksym=BREAKSYM): return UHF(mol).init_guess_by_1e(mol, breaksym) +def init_guess_by_sapfit(mol, breaksym=BREAKSYM): + return UHF(mol).init_guess_by_sapfit(mol, breaksym) + def init_guess_by_atom(mol, breaksym=BREAKSYM): dm = hf.init_guess_by_atom(mol) dma = dmb = dm*.5 @@ -752,6 +755,24 @@ def init_guess_by_1e(self, mol=None, breaksym=BREAKSYM): dmb[p0:p1,p0:p1] = dma[p0:p1,p0:p1] return numpy.array((dma,dmb)) + def init_guess_by_sapfit(self, mol=None, breaksym=BREAKSYM): + if mol is None: mol = self.mol + logger.info(self, 'Initial guess from fitted SAP guess (arXiv:2002.02587, doi:10.1021/acs.jctc.8b01089).') + + t = mol.intor_symmetric('int1e_kin') + vsap = sapfit_guess(mol) + s1e = self.get_ovlp(mol) + mo_energy, mo_coeff = self.eig(t + vsap, s1e) + + mo_occ = self.get_occ(mo_energy, mo_coeff) + dma, dmb = self.make_rdm1(mo_coeff, mo_occ) + if mol.spin == 0 and breaksym: + #remove off-diagonal part of beta DM + dmb = numpy.zeros_like(dma) + for b0, b1, p0, p1 in mol.aoslice_by_atom(): + dmb[p0:p1,p0:p1] = dma[p0:p1,p0:p1] + return numpy.array((dma,dmb)) + def init_guess_by_chkfile(self, chkfile=None, project=None): if chkfile is None: chkfile = self.chkfile return init_guess_by_chkfile(self.mol, chkfile, project=project) From 9e538533cc455a39246a3a6715f7ab65a7bda432 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Wed, 15 Apr 2020 22:08:01 +0300 Subject: [PATCH 2/2] Update reference --- pyscf/scf/sapfit.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pyscf/scf/sapfit.py b/pyscf/scf/sapfit.py index 48289b24f3..d594342e0b 100644 --- a/pyscf/scf/sapfit.py +++ b/pyscf/scf/sapfit.py @@ -30,8 +30,8 @@ # # S. Lehtola, L. Visscher, E. Engel, Efficient implementation of the # superposition of atomic potentials initial guess for electronic -# structure calculations in Gaussian basis sets, J. Chem. Phys., in -# press (2020). +# structure calculations in Gaussian basis sets, J. Chem. Phys. 152, +# 144105 (2020). DOI: 10.1063/5.0004046 # # and the original paper discussing the superposition of atomic # potentials