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dfo-nrlmol.dat
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dfo-nrlmol.dat
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#----------------------------------------------------------------------
# Basis Set Exchange
# Version v0.9
# https://www.basissetexchange.org
#----------------------------------------------------------------------
# Basis set: DFO-NRLMOL
# Description: DFO basis from NRLMOL
# Role: orbital
# Version: 1 (Data from NRLMOL)
#----------------------------------------------------------------------
BASIS "ao basis" CARTESIAN PRINT
#BASIS SET: (6s,3p,1d) -> [4s,3p,1d]
H S
0.77840802E+02 0.00000000e+00 0.00000000e+00 1.43693654e-03 0.00000000e+00
0.11534417E+02 0.00000000e+00 0.00000000e+00 1.12421404e-02 0.00000000e+00
0.26138581E+01 0.00000000e+00 0.00000000e+00 5.50396843e-02 0.00000000e+00
0.73216633E+00 1.00000000e+00 0.00000000e+00 1.76110496e-01 0.00000000e+00
0.22838190E+00 0.00000000e+00 1.00000000e+00 3.30431551e-01 0.00000000e+00
0.74506970E-01 0.00000000e+00 0.00000000e+00 2.51435272e-01 1.00000000e+00
H P
0.26138581E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.73216633E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.22838190E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
H D
0.73216633E+00 1.00000000e+00
#BASIS SET: (8s,3p,1d) -> [4s,3p,1d]
He S
0.10643281E+04 0.00000000e+00 2.77064903e-04 0.00000000e+00 0.00000000e+00
0.15952417E+03 0.00000000e+00 2.15232606e-03 0.00000000e+00 0.00000000e+00
0.36118716E+02 0.00000000e+00 1.11926524e-02 0.00000000e+00 0.00000000e+00
0.10169954E+02 0.00000000e+00 4.37599359e-02 0.00000000e+00 0.00000000e+00
0.32746893E+01 0.00000000e+00 1.24423216e-01 0.00000000e+00 0.00000000e+00
0.11254285E+01 1.00000000e+00 2.42180529e-01 0.00000000e+00 0.00000000e+00
0.39566135E+00 0.00000000e+00 2.92432915e-01 1.00000000e+00 0.00000000e+00
0.13821037E+00 0.00000000e+00 1.27256187e-01 0.00000000e+00 1.00000000e+00
He P
0.32746893E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.11254285E+01 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.39566135E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
He D
0.11254285E+01 1.00000000e+00
#BASIS SET: (10s,3p,1d) -> [5s,3p,1d]
Li S
0.32002407E+04 2.04756296e-04 0.00000000e+00 0.00000000e+00 -3.65896052e-05 0.00000000e+00
0.47796152E+03 1.59486341e-03 0.00000000e+00 0.00000000e+00 -2.84566533e-04 0.00000000e+00
0.10846472E+03 8.29588523e-03 0.00000000e+00 0.00000000e+00 -1.49201719e-03 0.00000000e+00
0.30622913E+02 3.31855302e-02 0.00000000e+00 0.00000000e+00 -6.02066031e-03 0.00000000e+00
0.99259160E+01 1.01074734e-01 0.00000000e+00 0.00000000e+00 -1.91522247e-02 0.00000000e+00
0.34886950E+01 2.19692695e-01 0.00000000e+00 0.00000000e+00 -4.57364082e-02 0.00000000e+00
0.12821342E+01 3.01764807e-01 0.00000000e+00 0.00000000e+00 -8.19639228e-02 0.00000000e+00
0.46694187E+00 1.63703695e-01 1.00000000e+00 0.00000000e+00 -7.09571722e-02 0.00000000e+00
0.76047880E-01 7.13199292e-03 0.00000000e+00 1.00000000e+00 3.70304965e-01 0.00000000e+00
0.28278450E-01 -2.25404346e-03 0.00000000e+00 0.00000000e+00 4.08623756e-01 1.00000000e+00
Li P
0.12821342E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.46694187E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.76047880E-01 0.00000000e+00 0.00000000e+00 1.00000000e+00
Li D
0.46694187E+00 1.00000000e+00
#BASIS SET: (10s,3p,1d) -> [5s,3p,1d]
Be S
0.58595071E+04 2.02583117e-04 0.00000000e+00 0.00000000e+00 -4.17624501e-05 0.00000000e+00
0.87762084E+03 1.57499603e-03 0.00000000e+00 0.00000000e+00 -3.20675709e-04 0.00000000e+00
0.19917234E+03 8.19142237e-03 0.00000000e+00 0.00000000e+00 -1.70927226e-03 0.00000000e+00
0.56263071E+02 3.28590427e-02 0.00000000e+00 0.00000000e+00 -6.77772238e-03 0.00000000e+00
0.18269616E+02 1.00916380e-01 0.00000000e+00 0.00000000e+00 -2.25067260e-02 0.00000000e+00
0.64736671E+01 2.22372323e-01 0.00000000e+00 0.00000000e+00 -5.27988348e-02 0.00000000e+00
0.24456887E+01 2.96560954e-01 0.00000000e+00 0.00000000e+00 -9.93458891e-02 0.00000000e+00
0.93417392E+00 1.61650701e-01 1.00000000e+00 0.00000000e+00 -6.98211970e-02 0.00000000e+00
0.18170392E+00 7.57292775e-03 0.00000000e+00 1.00000000e+00 3.92122505e-01 0.00000000e+00
0.59064700E-01 -1.87568260e-03 0.00000000e+00 0.00000000e+00 4.02143131e-01 1.00000000e+00
Be P
0.24456887E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.93417392E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.18170392E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
Be D
0.93417392E+00 1.00000000e+00
#BASIS SET: (12s,12p,3d) -> [5s,4p,3d]
B S
0.17151547E+05 9.46938469e-05 0.00000000e+00 -2.08032658e-05 0.00000000e+00 0.00000000e+00
0.25393477E+04 7.46941521e-04 0.00000000e+00 -1.65054877e-04 0.00000000e+00 0.00000000e+00
0.57291000E+03 3.94128238e-03 0.00000000e+00 -8.66845447e-04 0.00000000e+00 0.00000000e+00
0.16108646E+03 1.63306065e-02 0.00000000e+00 -3.66157212e-03 0.00000000e+00 0.00000000e+00
0.52188498E+02 5.48497982e-02 0.00000000e+00 -1.24573866e-02 0.00000000e+00 0.00000000e+00
0.18617574E+02 1.42711216e-01 0.00000000e+00 -3.52951423e-02 0.00000000e+00 0.00000000e+00
0.70554244E+01 2.65056686e-01 0.00000000e+00 -7.55162621e-02 0.00000000e+00 0.00000000e+00
0.27761492E+01 2.64931713e-01 0.00000000e+00 -1.11629347e-01 0.00000000e+00 0.00000000e+00
0.10865985E+01 7.99465595e-02 0.00000000e+00 -3.92148500e-02 0.00000000e+00 0.00000000e+00
0.41014343E+00 -1.92895257e-03 1.00000000e+00 2.72748451e-01 0.00000000e+00 0.00000000e+00
0.15187723E+00 1.33537523e-03 0.00000000e+00 4.31986565e-01 1.00000000e+00 0.00000000e+00
0.54761140E-01 -3.80225695e-04 0.00000000e+00 1.12595514e-01 0.00000000e+00 1.00000000e+00
B P
0.17151547E+05 0.00000000e+00 7.15521481e-08 0.00000000e+00 0.00000000e+00
0.25393477E+04 0.00000000e+00 1.10479000e-06 0.00000000e+00 0.00000000e+00
0.57291000E+03 0.00000000e+00 1.52785695e-05 0.00000000e+00 0.00000000e+00
0.16108646E+03 0.00000000e+00 1.04761586e-04 0.00000000e+00 0.00000000e+00
0.52188498E+02 0.00000000e+00 7.31247138e-04 0.00000000e+00 0.00000000e+00
0.18617574E+02 0.00000000e+00 3.28476251e-03 0.00000000e+00 0.00000000e+00
0.70554244E+01 0.00000000e+00 1.47071818e-02 0.00000000e+00 0.00000000e+00
0.27761492E+01 0.00000000e+00 4.60868327e-02 0.00000000e+00 0.00000000e+00
0.10865985E+01 0.00000000e+00 1.34372681e-01 0.00000000e+00 0.00000000e+00
0.41014343E+00 1.00000000e+00 2.82885553e-01 0.00000000e+00 0.00000000e+00
0.15187723E+00 0.00000000e+00 3.45709143e-01 1.00000000e+00 0.00000000e+00
0.54761140E-01 0.00000000e+00 2.07285229e-01 0.00000000e+00 1.00000000e+00
B D
0.10865985E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.41014343E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.15187723E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (12s,12p,3d) -> [5s,4p,3d]
C S
0.22213361E+05 1.08776340e-04 0.00000000e+00 -2.47344677e-05 0.00000000e+00 0.00000000e+00
0.33317370E+04 8.43697345e-04 0.00000000e+00 -1.92963597e-04 0.00000000e+00 0.00000000e+00
0.75790135E+03 4.40607772e-03 0.00000000e+00 -1.00358825e-03 0.00000000e+00 0.00000000e+00
0.21454372E+03 1.80615583e-02 0.00000000e+00 -4.19844471e-03 0.00000000e+00 0.00000000e+00
0.69924889E+02 5.98850376e-02 0.00000000e+00 -1.41497047e-02 0.00000000e+00 0.00000000e+00
0.25086135E+02 1.53210411e-01 0.00000000e+00 -3.97843310e-02 0.00000000e+00 0.00000000e+00
0.95910418E+01 2.73978615e-01 0.00000000e+00 -8.30526155e-02 0.00000000e+00 0.00000000e+00
0.38024557E+01 2.53349558e-01 0.00000000e+00 -1.18312076e-01 0.00000000e+00 0.00000000e+00
0.14891854E+01 6.38486271e-02 0.00000000e+00 -9.63484531e-03 0.00000000e+00 0.00000000e+00
0.57487653E+00 -2.50931361e-03 1.00000000e+00 3.04986671e-01 0.00000000e+00 0.00000000e+00
0.21494732E+00 1.19633372e-03 0.00000000e+00 4.04518957e-01 1.00000000e+00 0.00000000e+00
0.77209650E-01 -3.21600328e-04 0.00000000e+00 9.65064795e-02 0.00000000e+00 1.00000000e+00
C P
0.22213361E+05 0.00000000e+00 8.53237232e-08 0.00000000e+00 0.00000000e+00
0.33317370E+04 0.00000000e+00 1.68489103e-06 0.00000000e+00 0.00000000e+00
0.75790135E+03 0.00000000e+00 1.87743734e-05 0.00000000e+00 0.00000000e+00
0.21454372E+03 0.00000000e+00 1.46439542e-04 0.00000000e+00 0.00000000e+00
0.69924889E+02 0.00000000e+00 9.07557538e-04 0.00000000e+00 0.00000000e+00
0.25086135E+02 0.00000000e+00 4.40072648e-03 0.00000000e+00 0.00000000e+00
0.95910418E+01 0.00000000e+00 1.81973122e-02 0.00000000e+00 0.00000000e+00
0.38024557E+01 0.00000000e+00 5.90842566e-02 0.00000000e+00 0.00000000e+00
0.14891854E+01 0.00000000e+00 1.62462648e-01 0.00000000e+00 0.00000000e+00
0.57487653E+00 1.00000000e+00 2.94793322e-01 0.00000000e+00 0.00000000e+00
0.21494732E+00 0.00000000e+00 3.25132428e-01 1.00000000e+00 0.00000000e+00
0.77209650E-01 0.00000000e+00 1.78863109e-01 0.00000000e+00 1.00000000e+00
C D
0.14891854E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.57487653E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.21494732E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (13s,13p,3d) -> [5s,4p,3d]
N S
0.51750624E+05 5.59517600e-05 0.00000000e+00 -1.30009458e-05 0.00000000e+00 0.00000000e+00
0.78061653E+04 4.30449808e-04 0.00000000e+00 -9.99490877e-05 0.00000000e+00 0.00000000e+00
0.17858362E+04 2.24081710e-03 0.00000000e+00 -5.22212446e-04 0.00000000e+00 0.00000000e+00
0.50740929E+03 9.28456655e-03 0.00000000e+00 -2.17227147e-03 0.00000000e+00 0.00000000e+00
0.16585097E+03 3.20701903e-02 0.00000000e+00 -7.66148094e-03 0.00000000e+00 0.00000000e+00
0.59844766E+02 9.08821507e-02 0.00000000e+00 -2.26274924e-02 0.00000000e+00 0.00000000e+00
0.23134699E+02 1.97648482e-01 0.00000000e+00 -5.53458875e-02 0.00000000e+00 0.00000000e+00
0.94184589E+01 2.81302393e-01 0.00000000e+00 -9.86313360e-02 0.00000000e+00 0.00000000e+00
0.39417948E+01 1.85663716e-01 0.00000000e+00 -1.04744404e-01 0.00000000e+00 0.00000000e+00
0.16227426E+01 2.58582537e-02 0.00000000e+00 7.07978697e-02 0.00000000e+00 0.00000000e+00
0.65266572E+00 -5.24589461e-04 1.00000000e+00 3.45697490e-01 0.00000000e+00 0.00000000e+00
0.25437155E+00 8.58180301e-05 0.00000000e+00 3.44950221e-01 1.00000000e+00 0.00000000e+00
0.94111740E-01 -6.73911140e-06 0.00000000e+00 6.47937986e-02 0.00000000e+00 1.00000000e+00
N P
0.51750624E+05 0.00000000e+00 4.02173070e-08 0.00000000e+00 0.00000000e+00
0.78061653E+04 0.00000000e+00 6.53377843e-07 0.00000000e+00 0.00000000e+00
0.17858362E+04 0.00000000e+00 8.29058650e-06 0.00000000e+00 0.00000000e+00
0.50740929E+03 0.00000000e+00 5.86489961e-05 0.00000000e+00 0.00000000e+00
0.16585097E+03 0.00000000e+00 3.97222320e-04 0.00000000e+00 0.00000000e+00
0.59844766E+02 0.00000000e+00 1.91612433e-03 0.00000000e+00 0.00000000e+00
0.23134699E+02 0.00000000e+00 8.57344738e-03 0.00000000e+00 0.00000000e+00
0.94184589E+01 0.00000000e+00 2.93495246e-02 0.00000000e+00 0.00000000e+00
0.39417948E+01 0.00000000e+00 8.62411329e-02 0.00000000e+00 0.00000000e+00
0.16227426E+01 0.00000000e+00 2.00009079e-01 0.00000000e+00 0.00000000e+00
0.65266572E+00 1.00000000e+00 2.98525644e-01 0.00000000e+00 0.00000000e+00
0.25437155E+00 0.00000000e+00 2.87139586e-01 1.00000000e+00 0.00000000e+00
0.94111740E-01 0.00000000e+00 1.39034336e-01 0.00000000e+00 1.00000000e+00
N D
0.16227426E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.65266572E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.25437155E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (13s,13p,3d) -> [5s,4p,3d]
O S
0.61209952E+05 6.38446278e-05 0.00000000e+00 -1.50011723e-05 0.00000000e+00 0.00000000e+00
0.91916606E+04 4.94353099e-04 0.00000000e+00 -1.16312216e-04 0.00000000e+00 0.00000000e+00
0.20946927E+04 2.58383605e-03 0.00000000e+00 -6.08554668e-04 0.00000000e+00 0.00000000e+00
0.59354959E+03 1.07129850e-02 0.00000000e+00 -2.54532202e-03 0.00000000e+00 0.00000000e+00
0.19364685E+03 3.68382077e-02 0.00000000e+00 -8.91524379e-03 0.00000000e+00 0.00000000e+00
0.69779374E+02 1.02899152e-01 0.00000000e+00 -2.63123788e-02 0.00000000e+00 0.00000000e+00
0.26939753E+02 2.16994791e-01 0.00000000e+00 -6.27790129e-02 0.00000000e+00 0.00000000e+00
0.10934186E+02 2.84429263e-01 0.00000000e+00 -1.08244136e-01 0.00000000e+00 0.00000000e+00
0.45657112E+01 1.55686948e-01 0.00000000e+00 -9.12567802e-02 0.00000000e+00 0.00000000e+00
0.18840572E+01 1.32366942e-02 0.00000000e+00 1.21001446e-01 0.00000000e+00 0.00000000e+00
0.75530584E+00 4.78448266e-04 1.00000000e+00 3.70499647e-01 0.00000000e+00 0.00000000e+00
0.29155274E+00 -3.20886755e-04 0.00000000e+00 3.03740057e-01 1.00000000e+00 0.00000000e+00
0.10491740E+00 9.79295788e-05 0.00000000e+00 3.96241198e-02 0.00000000e+00 1.00000000e+00
O P
0.61209952E+05 0.00000000e+00 4.98876171e-08 0.00000000e+00 0.00000000e+00
0.91916606E+04 0.00000000e+00 8.52571835e-07 0.00000000e+00 0.00000000e+00
0.20946927E+04 0.00000000e+00 1.05383250e-05 0.00000000e+00 0.00000000e+00
0.59354959E+03 0.00000000e+00 7.65211200e-05 0.00000000e+00 0.00000000e+00
0.19364685E+03 0.00000000e+00 5.09957090e-04 0.00000000e+00 0.00000000e+00
0.69779374E+02 0.00000000e+00 2.48037591e-03 0.00000000e+00 0.00000000e+00
0.26939753E+02 0.00000000e+00 1.10222882e-02 0.00000000e+00 0.00000000e+00
0.10934186E+02 0.00000000e+00 3.71707251e-02 0.00000000e+00 0.00000000e+00
0.45657112E+01 0.00000000e+00 1.06328019e-01 0.00000000e+00 0.00000000e+00
0.18840572E+01 0.00000000e+00 2.24462420e-01 0.00000000e+00 0.00000000e+00
0.75530584E+00 1.00000000e+00 3.02653209e-01 0.00000000e+00 0.00000000e+00
0.29155274E+00 0.00000000e+00 2.67539609e-01 1.00000000e+00 0.00000000e+00
0.10491740E+00 0.00000000e+00 1.05187357e-01 0.00000000e+00 1.00000000e+00
O D
0.18840572E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.75530584E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.29155274E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (14s,14p,3d) -> [5s,4p,3d]
F S
0.12317422E+06 3.58295857e-05 0.00000000e+00 -8.49280297e-06 0.00000000e+00 0.00000000e+00
0.18654932E+05 2.74160189e-04 0.00000000e+00 -6.48940701e-05 0.00000000e+00 0.00000000e+00
0.42846604E+04 1.42086424e-03 0.00000000e+00 -3.37648932e-04 0.00000000e+00 0.00000000e+00
0.12231509E+04 5.88235658e-03 0.00000000e+00 -1.39935645e-03 0.00000000e+00 0.00000000e+00
0.40167338E+03 2.05667693e-02 0.00000000e+00 -4.97765957e-03 0.00000000e+00 0.00000000e+00
0.14578523E+03 6.08122146e-02 0.00000000e+00 -1.51201003e-02 0.00000000e+00 0.00000000e+00
0.56945518E+02 1.44916020e-01 0.00000000e+00 -3.92923090e-02 0.00000000e+00 0.00000000e+00
0.23493112E+02 2.51417383e-01 0.00000000e+00 -8.00146496e-02 0.00000000e+00 0.00000000e+00
0.10034185E+02 2.49297795e-01 0.00000000e+00 -1.14366622e-01 0.00000000e+00 0.00000000e+00
0.43437697E+01 8.67366092e-02 0.00000000e+00 -3.79690868e-02 0.00000000e+00 0.00000000e+00
0.18682030E+01 1.59925710e-03 0.00000000e+00 1.98201141e-01 0.00000000e+00 0.00000000e+00
0.78068791E+00 9.08586353e-04 1.00000000e+00 3.66253360e-01 0.00000000e+00 0.00000000e+00
0.31498461E+00 -3.91489993e-04 0.00000000e+00 2.39213837e-01 1.00000000e+00 0.00000000e+00
0.11818616E+00 1.03333455e-04 0.00000000e+00 2.38998795e-02 0.00000000e+00 1.00000000e+00
F P
0.12317422E+06 0.00000000e+00 2.12384125e-08 0.00000000e+00 0.00000000e+00
0.18654932E+05 0.00000000e+00 4.15557756e-07 0.00000000e+00 0.00000000e+00
0.42846604E+04 0.00000000e+00 4.52725733e-06 0.00000000e+00 0.00000000e+00
0.12231509E+04 0.00000000e+00 3.52445293e-05 0.00000000e+00 0.00000000e+00
0.40167338E+03 0.00000000e+00 2.20773738e-04 0.00000000e+00 0.00000000e+00
0.14578523E+03 0.00000000e+00 1.14840381e-03 0.00000000e+00 0.00000000e+00
0.56945518E+02 0.00000000e+00 5.02110472e-03 0.00000000e+00 0.00000000e+00
0.23493112E+02 0.00000000e+00 1.87810689e-02 0.00000000e+00 0.00000000e+00
0.10034185E+02 0.00000000e+00 5.69738485e-02 0.00000000e+00 0.00000000e+00
0.43437697E+01 0.00000000e+00 1.41626798e-01 0.00000000e+00 0.00000000e+00
0.18682030E+01 0.00000000e+00 2.43838801e-01 0.00000000e+00 0.00000000e+00
0.78068791E+00 1.00000000e+00 2.85821206e-01 0.00000000e+00 0.00000000e+00
0.31498461E+00 0.00000000e+00 2.27093640e-01 1.00000000e+00 0.00000000e+00
0.11818616E+00 0.00000000e+00 8.07621027e-02 0.00000000e+00 1.00000000e+00
F D
0.18682030E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.78068791E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.31498461E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (14s,14p,3d) -> [5s,4p,3d]
Ne S
0.15700642E+06 3.46954482e-05 0.00000000e+00 -8.26776283e-06 0.00000000e+00 0.00000000e+00
0.23572022E+05 2.68488893e-04 0.00000000e+00 -6.39061492e-05 0.00000000e+00 0.00000000e+00
0.53843780E+04 1.40035248e-03 0.00000000e+00 -3.34505632e-04 0.00000000e+00 0.00000000e+00
0.15301771E+04 5.83109213e-03 0.00000000e+00 -1.39511123e-03 0.00000000e+00 0.00000000e+00
0.50048199E+03 2.05002783e-02 0.00000000e+00 -4.98726262e-03 0.00000000e+00 0.00000000e+00
0.18095045E+03 6.09937613e-02 0.00000000e+00 -1.52646689e-02 0.00000000e+00 0.00000000e+00
0.70428696E+02 1.46254286e-01 0.00000000e+00 -3.99206946e-02 0.00000000e+00 0.00000000e+00
0.28979489E+02 2.53607568e-01 0.00000000e+00 -8.16494508e-02 0.00000000e+00 0.00000000e+00
0.12365904E+02 2.48613750e-01 0.00000000e+00 -1.15603155e-01 0.00000000e+00 0.00000000e+00
0.53509320E+01 8.37024613e-02 0.00000000e+00 -3.28628553e-02 0.00000000e+00 0.00000000e+00
0.23013838E+01 1.27569034e-03 0.00000000e+00 2.04295555e-01 0.00000000e+00 0.00000000e+00
0.96134893E+00 8.82112625e-04 1.00000000e+00 3.64094154e-01 0.00000000e+00 0.00000000e+00
0.38662765E+00 -3.73170484e-04 0.00000000e+00 2.34642131e-01 1.00000000e+00 0.00000000e+00
0.14433262E+00 9.78549003e-05 0.00000000e+00 2.33708799e-02 0.00000000e+00 1.00000000e+00
Ne P
0.15700642E+06 2.11872248e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.23572022E+05 4.10651275e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.53843780E+04 4.59303522e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.15301771E+04 3.56006727e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.50048199E+03 2.26738286e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.18095045E+03 1.18068375e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.70428696E+02 5.24880992e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.28979489E+02 1.96068027e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12365904E+02 5.99347830e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.53509320E+01 1.47005735e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.23013838E+01 2.46605666e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.96134893E+00 2.82986299e-01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.38662765E+00 2.21869012e-01 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.14433262E+00 7.94547493e-02 0.00000000e+00 0.00000000e+00 1.00000000e+00
Ne D
0.23013838E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.96134893E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.38662765E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (16s,16p,3d) -> [6s,4p,3d]
Na S
0.25145499E+06 2.44534981e-05 -6.01360162e-06 0.00000000e+00 0.00000000e+00 1.11289978e-06 0.00000000e+00
0.38007583E+05 1.87606770e-04 -4.61107603e-05 0.00000000e+00 0.00000000e+00 8.53961985e-06 0.00000000e+00
0.87156884E+04 9.75485064e-04 -2.40296986e-04 0.00000000e+00 0.00000000e+00 4.44590762e-05 0.00000000e+00
0.24831339E+04 4.06359530e-03 -1.00284411e-03 0.00000000e+00 0.00000000e+00 1.85833362e-04 0.00000000e+00
0.81351333E+03 1.43980062e-02 -3.59552527e-03 0.00000000e+00 0.00000000e+00 6.65470533e-04 0.00000000e+00
0.29456969E+03 4.38788659e-02 -1.12087325e-02 0.00000000e+00 0.00000000e+00 2.08197779e-03 0.00000000e+00
0.11495926E+03 1.11212037e-01 -3.02922780e-02 0.00000000e+00 0.00000000e+00 5.63018014e-03 0.00000000e+00
0.47460431E+02 2.16580766e-01 -6.72327884e-02 0.00000000e+00 0.00000000e+00 1.26390290e-02 0.00000000e+00
0.20410458E+02 2.68275259e-01 -1.10528662e-01 0.00000000e+00 0.00000000e+00 2.10172884e-02 0.00000000e+00
0.90260087E+01 1.46794712e-01 -8.68867192e-02 0.00000000e+00 0.00000000e+00 1.73201165e-02 0.00000000e+00
0.39980820E+01 1.60414361e-02 1.02256422e-01 0.00000000e+00 0.00000000e+00 -2.17723423e-02 0.00000000e+00
0.17348093E+01 3.91448081e-04 3.31080480e-01 0.00000000e+00 0.00000000e+00 -7.99097745e-02 0.00000000e+00
0.73799762E+00 -2.82572196e-04 3.24189222e-01 0.00000000e+00 0.00000000e+00 -1.23209928e-01 0.00000000e+00
0.29694191E+00 1.21270085e-04 7.64770012e-02 1.00000000e+00 0.00000000e+00 -3.86682582e-02 0.00000000e+00
0.71153940E-01 -3.93276962e-05 -1.11099164e-03 0.00000000e+00 1.00000000e+00 3.83647626e-01 0.00000000e+00
0.26857900E-01 1.54350623e-05 5.24804046e-04 0.00000000e+00 0.00000000e+00 4.05760959e-01 1.00000000e+00
Na P
0.25145499E+06 1.32759729e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.38007583E+05 2.82458942e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.87156884E+04 2.91421231e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.24831339E+04 2.37838940e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.81351333E+03 1.45660269e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.29456969E+03 7.89145492e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.11495926E+03 3.49172847e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.47460431E+02 1.37530355e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.20410458E+02 4.34932169e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.90260087E+01 1.14309219e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.39980820E+01 2.19752868e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.17348093E+01 2.88293993e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.73799762E+00 2.49306510e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.29694191E+00 1.04731680e-01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.71153940E-01 6.08000929e-03 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.26857900E-01 -1.43026596e-03 0.00000000e+00 0.00000000e+00 1.00000000e+00
Na D
0.73799762E+00 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.29694191E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.71153940E-01 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (16s,16p,3d) -> [6s,4p,3d]
Mg S
0.31533219E+06 2.29697297e-05 -5.81257213e-06 0.00000000e+00 0.00000000e+00 1.32244188e-06 0.00000000e+00
0.47654454E+05 1.76307206e-04 -4.45941165e-05 0.00000000e+00 0.00000000e+00 1.01638661e-05 0.00000000e+00
0.10924762E+05 9.16866924e-04 -2.32388354e-04 0.00000000e+00 0.00000000e+00 5.28332272e-05 0.00000000e+00
0.31147925E+04 3.81358350e-03 -9.68402578e-04 0.00000000e+00 0.00000000e+00 2.20965509e-04 0.00000000e+00
0.10221878E+04 1.34940257e-02 -3.46529045e-03 0.00000000e+00 0.00000000e+00 7.87724441e-04 0.00000000e+00
0.37091189E+03 4.11775611e-02 -1.08089136e-02 0.00000000e+00 0.00000000e+00 2.47433604e-03 0.00000000e+00
0.14511743E+03 1.05153864e-01 -2.93450183e-02 0.00000000e+00 0.00000000e+00 6.69612904e-03 0.00000000e+00
0.60090755E+02 2.08458802e-01 -6.59532169e-02 0.00000000e+00 0.00000000e+00 1.53188249e-02 0.00000000e+00
0.25954625E+02 2.68201499e-01 -1.11175152e-01 0.00000000e+00 0.00000000e+00 2.59370769e-02 0.00000000e+00
0.11557759E+02 1.59203550e-01 -9.57409036e-02 0.00000000e+00 0.00000000e+00 2.39563956e-02 0.00000000e+00
0.51717172E+01 2.15194252e-02 8.33131338e-02 0.00000000e+00 0.00000000e+00 -2.29342568e-02 0.00000000e+00
0.22807940E+01 2.20733499e-04 3.26938878e-01 0.00000000e+00 0.00000000e+00 -9.81883262e-02 0.00000000e+00
0.10019406E+01 -1.93411428e-04 3.32971534e-01 0.00000000e+00 0.00000000e+00 -1.59019132e-01 0.00000000e+00
0.42548000E+00 9.96129026e-05 8.69080517e-02 1.00000000e+00 0.00000000e+00 -4.33424851e-02 0.00000000e+00
0.11825502E+00 -3.34428170e-05 -1.60862020e-04 0.00000000e+00 1.00000000e+00 4.48708108e-01 0.00000000e+00
0.42680060E-01 1.16047395e-05 2.39359199e-04 0.00000000e+00 0.00000000e+00 3.61698219e-01 1.00000000e+00
Mg P
0.31533219E+06 1.29979770e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.47654454E+05 2.75897165e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10924762E+05 2.85281103e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.31147925E+04 2.31982084e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10221878E+04 1.41775439e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.37091189E+03 7.65991384e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.14511743E+03 3.39587637e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.60090755E+02 1.34110685e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.25954625E+02 4.27443135e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.11557759E+02 1.13135959e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.51717172E+01 2.20785959e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.22807940E+01 2.93759388e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10019406E+01 2.42657451e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.42548000E+00 9.43567608e-02 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.11825502E+00 4.72770693e-03 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.42680060E-01 -8.25875595e-04 0.00000000e+00 0.00000000e+00 1.00000000e+00
Mg D
0.10019406E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.42548000E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.11825502E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (16s,16p,3d) -> [6s,5p,3d]
Al S
0.29121791E+06 3.12394889e-05 -8.10799926e-06 0.00000000e+00 0.00000000e+00 2.13604657e-06 0.00000000e+00
0.43385585E+05 2.44573228e-04 -6.34364793e-05 0.00000000e+00 0.00000000e+00 1.67352577e-05 0.00000000e+00
0.98343244E+04 1.28910601e-03 -3.35288786e-04 0.00000000e+00 0.00000000e+00 8.82883324e-05 0.00000000e+00
0.27757856E+04 5.41715450e-03 -1.41252113e-03 0.00000000e+00 0.00000000e+00 3.73030674e-04 0.00000000e+00
0.90272204E+03 1.92210884e-02 -5.08830172e-03 0.00000000e+00 0.00000000e+00 1.34053034e-03 0.00000000e+00
0.32488807E+03 5.78857661e-02 -1.57869518e-02 0.00000000e+00 0.00000000e+00 4.18644723e-03 0.00000000e+00
0.12607752E+03 1.41368302e-01 -4.19238751e-02 0.00000000e+00 0.00000000e+00 1.11210057e-02 0.00000000e+00
0.51827548E+02 2.50712803e-01 -8.79609644e-02 0.00000000e+00 0.00000000e+00 2.38244483e-02 0.00000000e+00
0.22179300E+02 2.53339031e-01 -1.26986612e-01 0.00000000e+00 0.00000000e+00 3.49166868e-02 0.00000000e+00
0.96714598E+01 8.98396538e-02 -4.08585371e-02 0.00000000e+00 0.00000000e+00 1.28654892e-02 0.00000000e+00
0.42191082E+01 1.86614062e-03 2.17527695e-01 0.00000000e+00 0.00000000e+00 -7.35499600e-02 0.00000000e+00
0.18344071E+01 1.03751230e-03 4.01737055e-01 0.00000000e+00 0.00000000e+00 -1.75086853e-01 0.00000000e+00
0.77682315E+00 -5.00686512e-04 1.97926670e-01 0.00000000e+00 0.00000000e+00 -1.51961062e-01 0.00000000e+00
0.26564624E+00 2.20763605e-04 7.22189577e-03 1.00000000e+00 0.00000000e+00 2.56724652e-01 0.00000000e+00
0.10427775E+00 -1.08251554e-04 5.29560871e-05 0.00000000e+00 1.00000000e+00 4.98952948e-01 0.00000000e+00
0.38403550E-01 3.05023422e-05 -1.32717535e-04 0.00000000e+00 0.00000000e+00 1.01651313e-01 1.00000000e+00
Al P
0.29121791E+06 2.25018651e-08 0.00000000e+00 0.00000000e+00 -4.23675539e-09 0.00000000e+00
0.43385585E+05 4.37283228e-07 0.00000000e+00 0.00000000e+00 -9.36567530e-08 0.00000000e+00
0.98343244E+04 5.00507152e-06 0.00000000e+00 0.00000000e+00 -9.76624976e-07 0.00000000e+00
0.27757856E+04 3.90178030e-05 0.00000000e+00 0.00000000e+00 -8.14543814e-06 0.00000000e+00
0.90272204E+03 2.52399070e-04 0.00000000e+00 0.00000000e+00 -5.01792207e-05 0.00000000e+00
0.32488807E+03 1.32539770e-03 0.00000000e+00 0.00000000e+00 -2.73788085e-04 0.00000000e+00
0.12607752E+03 6.01381778e-03 0.00000000e+00 0.00000000e+00 -1.20996047e-03 0.00000000e+00
0.51827548E+02 2.26909064e-02 0.00000000e+00 0.00000000e+00 -4.70283600e-03 0.00000000e+00
0.22179300E+02 7.06229570e-02 0.00000000e+00 0.00000000e+00 -1.45182111e-02 0.00000000e+00
0.96714598E+01 1.71576798e-01 0.00000000e+00 0.00000000e+00 -3.67909312e-02 0.00000000e+00
0.42191082E+01 2.82084907e-01 0.00000000e+00 0.00000000e+00 -6.11534760e-02 0.00000000e+00
0.18344071E+01 2.96777770e-01 0.00000000e+00 0.00000000e+00 -6.99246194e-02 0.00000000e+00
0.77682315E+00 1.53462712e-01 0.00000000e+00 0.00000000e+00 4.88724385e-03 0.00000000e+00
0.26564624E+00 1.61805809e-02 1.00000000e+00 0.00000000e+00 2.31979508e-01 0.00000000e+00
0.10427775E+00 -2.48655606e-03 0.00000000e+00 1.00000000e+00 4.10026147e-01 0.00000000e+00
0.38403550E-01 6.38473339e-04 0.00000000e+00 0.00000000e+00 2.92268313e-01 1.00000000e+00
Al D
0.77682315E+00 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.26564624E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.10427775E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (16s,16p,3d) -> [6s,5p,3d]
Si S
0.34381747E+06 3.05319898e-05 -8.09767132e-06 0.00000000e+00 0.00000000e+00 2.32671948e-06 0.00000000e+00
0.51581212E+05 2.36709823e-04 -6.27523674e-05 0.00000000e+00 0.00000000e+00 1.80543893e-05 0.00000000e+00
0.11757393E+05 1.23930591e-03 -3.29344545e-04 0.00000000e+00 0.00000000e+00 9.45881200e-05 0.00000000e+00
0.33334467E+04 5.18247071e-03 -1.38110939e-03 0.00000000e+00 0.00000000e+00 3.97774435e-04 0.00000000e+00
0.10879412E+04 1.83395414e-02 -4.95766690e-03 0.00000000e+00 0.00000000e+00 1.42472328e-03 0.00000000e+00
0.39269596E+03 5.52741254e-02 -1.53889163e-02 0.00000000e+00 0.00000000e+00 4.45124551e-03 0.00000000e+00
0.15281403E+03 1.35908423e-01 -4.10052051e-02 0.00000000e+00 0.00000000e+00 1.18715631e-02 0.00000000e+00
0.62998624E+02 2.45235546e-01 -8.71729904e-02 0.00000000e+00 0.00000000e+00 2.57770251e-02 0.00000000e+00
0.27056259E+02 2.57368258e-01 -1.29067037e-01 0.00000000e+00 0.00000000e+00 3.88361348e-02 0.00000000e+00
0.11870421E+02 9.89078420e-02 -5.22453969e-02 0.00000000e+00 0.00000000e+00 1.77619116e-02 0.00000000e+00
0.52286850E+01 3.15629750e-03 2.05535600e-01 0.00000000e+00 0.00000000e+00 -7.69515751e-02 0.00000000e+00
0.23110424E+01 1.11005750e-03 4.04740560e-01 0.00000000e+00 0.00000000e+00 -1.94819810e-01 0.00000000e+00
0.10043844E+01 -5.79862850e-04 2.08496556e-01 0.00000000e+00 0.00000000e+00 -1.71991151e-01 0.00000000e+00
0.37071721E+00 2.61664723e-04 9.90819340e-03 1.00000000e+00 0.00000000e+00 2.74886683e-01 0.00000000e+00
0.14523667E+00 -1.19914025e-04 -1.71400719e-04 0.00000000e+00 1.00000000e+00 4.99984868e-01 0.00000000e+00
0.53955800E-01 3.32915189e-05 -6.44766703e-05 0.00000000e+00 0.00000000e+00 1.01453856e-01 1.00000000e+00
Si P
0.34381747E+06 2.26752356e-08 0.00000000e+00 0.00000000e+00 -4.97449860e-09 0.00000000e+00
0.51581212E+05 4.37904463e-07 0.00000000e+00 0.00000000e+00 -1.06776248e-07 0.00000000e+00
0.11757393E+05 4.94321256e-06 0.00000000e+00 0.00000000e+00 -1.11635018e-06 0.00000000e+00
0.33334467E+04 3.83681066e-05 0.00000000e+00 0.00000000e+00 -9.16141278e-06 0.00000000e+00
0.10879412E+04 2.46346567e-04 0.00000000e+00 0.00000000e+00 -5.65023511e-05 0.00000000e+00
0.39269596E+03 1.29223700e-03 0.00000000e+00 0.00000000e+00 -3.06018106e-04 0.00000000e+00
0.15281403E+03 5.85748016e-03 0.00000000e+00 0.00000000e+00 -1.35838948e-03 0.00000000e+00
0.62998624E+02 2.21970909e-02 0.00000000e+00 0.00000000e+00 -5.28412983e-03 0.00000000e+00
0.27056259E+02 6.95152854e-02 0.00000000e+00 0.00000000e+00 -1.65035654e-02 0.00000000e+00
0.11870421E+02 1.70088403e-01 0.00000000e+00 0.00000000e+00 -4.20727305e-02 0.00000000e+00
0.52286850E+01 2.83368745e-01 0.00000000e+00 0.00000000e+00 -7.16388090e-02 0.00000000e+00
0.23110424E+01 2.96820772e-01 0.00000000e+00 0.00000000e+00 -8.00782480e-02 0.00000000e+00
0.10043844E+01 1.48690118e-01 0.00000000e+00 0.00000000e+00 1.02374579e-02 0.00000000e+00
0.37071721E+00 1.50891233e-02 1.00000000e+00 0.00000000e+00 2.61898735e-01 0.00000000e+00
0.14523667E+00 -1.66115882e-03 0.00000000e+00 1.00000000e+00 4.13358148e-01 0.00000000e+00
0.53955800E-01 4.07066408e-04 0.00000000e+00 0.00000000e+00 2.57674596e-01 1.00000000e+00
Si D
0.10043844E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.37071721E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.14523667E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (17s,17p,3d) -> [6s,5p,3d]
P S
0.60954694E+06 1.76843978e-05 -4.77833482e-06 0.00000000e+00 1.45446409e-06 0.00000000e+00 0.00000000e+00
0.92555282E+05 1.34893988e-04 -3.64369779e-05 0.00000000e+00 1.10958927e-05 0.00000000e+00 0.00000000e+00
0.21281824E+05 6.99829695e-04 -1.89339363e-04 0.00000000e+00 5.76263218e-05 0.00000000e+00 0.00000000e+00
0.60758034E+04 2.91347917e-03 -7.89592821e-04 0.00000000e+00 2.40569704e-04 0.00000000e+00 0.00000000e+00
0.19948992E+04 1.03572551e-02 -2.83264625e-03 0.00000000e+00 8.62696300e-04 0.00000000e+00 0.00000000e+00
0.72425124E+03 3.20288382e-02 -8.92391468e-03 0.00000000e+00 2.72597731e-03 0.00000000e+00 0.00000000e+00
0.28374256E+03 8.44590861e-02 -2.47514767e-02 0.00000000e+00 7.57942224e-03 0.00000000e+00 0.00000000e+00
0.11784927E+03 1.78581235e-01 -5.81877217e-02 0.00000000e+00 1.80222748e-02 0.00000000e+00 0.00000000e+00
0.51235734E+02 2.61755775e-01 -1.06979132e-01 0.00000000e+00 3.37123630e-02 0.00000000e+00 0.00000000e+00
0.23063593E+02 2.01933657e-01 -1.19663378e-01 0.00000000e+00 3.94783189e-02 0.00000000e+00 0.00000000e+00
0.10492766E+02 4.80983340e-02 1.68310553e-02 0.00000000e+00 -6.00667869e-03 0.00000000e+00 0.00000000e+00
0.47682116E+01 2.65814368e-05 2.93676847e-01 0.00000000e+00 -1.24418210e-01 0.00000000e+00 0.00000000e+00
0.21796456E+01 4.33337812e-04 3.75496329e-01 0.00000000e+00 -2.28199398e-01 0.00000000e+00 0.00000000e+00
0.98769411E+00 -1.90189068e-04 1.24800971e-01 0.00000000e+00 -1.00570569e-01 0.00000000e+00 0.00000000e+00
0.41585774E+00 7.88503765e-05 2.02816211e-03 1.00000000e+00 3.64368710e-01 0.00000000e+00 0.00000000e+00
0.16794851E+00 -3.04316712e-05 5.35075438e-04 0.00000000e+00 4.43408955e-01 1.00000000e+00 0.00000000e+00
0.64460950E-01 7.82490431e-06 -1.48519202e-04 0.00000000e+00 7.41309602e-02 0.00000000e+00 1.00000000e+00
P P
0.60954694E+06 1.02183594e-08 0.00000000e+00 -2.80808586e-09 0.00000000e+00 0.00000000e+00
0.92555282E+05 2.17915980e-07 0.00000000e+00 -5.27947445e-08 0.00000000e+00 0.00000000e+00
0.21281824E+05 2.21885486e-06 0.00000000e+00 -5.89198887e-07 0.00000000e+00 0.00000000e+00
0.60758034E+04 1.81759299e-05 0.00000000e+00 -4.51606016e-06 0.00000000e+00 0.00000000e+00
0.19948992E+04 1.10561147e-04 0.00000000e+00 -2.88550204e-05 0.00000000e+00 0.00000000e+00
0.72425124E+03 6.02880700e-04 0.00000000e+00 -1.51788698e-04 0.00000000e+00 0.00000000e+00
0.28374256E+03 2.70183829e-03 0.00000000e+00 -7.01431103e-04 0.00000000e+00 0.00000000e+00
0.11784927E+03 1.08977701e-02 0.00000000e+00 -2.77787093e-03 0.00000000e+00 0.00000000e+00
0.51235734E+02 3.59307719e-02 0.00000000e+00 -9.43513062e-03 0.00000000e+00 0.00000000e+00
0.23063593E+02 9.97379302e-02 0.00000000e+00 -2.62295441e-02 0.00000000e+00 0.00000000e+00
0.10492766E+02 2.09455527e-01 0.00000000e+00 -5.79270769e-02 0.00000000e+00 0.00000000e+00
0.47682116E+01 3.00892890e-01 0.00000000e+00 -8.55498050e-02 0.00000000e+00 0.00000000e+00
0.21796456E+01 2.52604865e-01 0.00000000e+00 -6.92553642e-02 0.00000000e+00 0.00000000e+00
0.98769411E+00 8.89720892e-02 0.00000000e+00 6.39413737e-02 0.00000000e+00 0.00000000e+00
0.41585774E+00 4.45048534e-03 1.00000000e+00 3.08828865e-01 0.00000000e+00 0.00000000e+00
0.16794851E+00 1.27371839e-04 0.00000000e+00 3.92462956e-01 1.00000000e+00 0.00000000e+00
0.64460950E-01 -6.41039414e-05 0.00000000e+00 1.97109351e-01 0.00000000e+00 1.00000000e+00
P D
0.98769411E+00 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.41585774E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.16794851E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (17s,17p,3d) -> [6s,5p,3d]
S S
0.67258568E+06 1.84517946e-05 -5.06758947e-06 0.00000000e+00 1.60599256e-06 0.00000000e+00 0.00000000e+00
0.10147296E+06 1.42056921e-04 -3.89967779e-05 0.00000000e+00 1.23738140e-05 0.00000000e+00 0.00000000e+00
0.23205683E+05 7.41792839e-04 -2.04014464e-04 0.00000000e+00 6.46261127e-05 0.00000000e+00 0.00000000e+00
0.65977947E+04 3.10172943e-03 -8.54420790e-04 0.00000000e+00 2.71356532e-04 0.00000000e+00 0.00000000e+00
0.21592128E+04 1.10575289e-02 -3.07647390e-03 0.00000000e+00 9.74891405e-04 0.00000000e+00 0.00000000e+00
0.78172085E+03 3.42103853e-02 -9.70482896e-03 0.00000000e+00 3.09258766e-03 0.00000000e+00 0.00000000e+00
0.30551895E+03 8.98271983e-02 -2.69082665e-02 0.00000000e+00 8.57449845e-03 0.00000000e+00 0.00000000e+00
0.12665261E+03 1.87357906e-01 -6.27907348e-02 0.00000000e+00 2.03442385e-02 0.00000000e+00 0.00000000e+00
0.54962206E+02 2.65554605e-01 -1.13451474e-01 0.00000000e+00 3.72691756e-02 0.00000000e+00 0.00000000e+00
0.24715179E+02 1.90147975e-01 -1.17767569e-01 0.00000000e+00 4.12758806e-02 0.00000000e+00 0.00000000e+00
0.11237427E+02 3.88030863e-02 3.87121456e-02 0.00000000e+00 -1.56920955e-02 0.00000000e+00 0.00000000e+00
0.51181605E+01 -5.33681961e-05 3.28617395e-01 0.00000000e+00 -1.49863116e-01 0.00000000e+00 0.00000000e+00
0.23326362E+01 1.87742055e-04 3.62966758e-01 0.00000000e+00 -2.53486705e-01 0.00000000e+00 0.00000000e+00
0.10387854E+01 -5.11686944e-05 9.10123554e-02 0.00000000e+00 -3.39721993e-02 0.00000000e+00 0.00000000e+00
0.45490662E+00 1.36928531e-05 -1.38653834e-03 1.00000000e+00 4.22558592e-01 0.00000000e+00 0.00000000e+00
0.18609710E+00 -3.38274501e-06 8.52372455e-04 0.00000000e+00 3.89627549e-01 1.00000000e+00 0.00000000e+00
0.71385870E-01 6.51341605e-07 -1.95921712e-04 0.00000000e+00 4.92122297e-02 0.00000000e+00 1.00000000e+00
S P
0.67258568E+06 1.12594636e-08 0.00000000e+00 -3.22396176e-09 0.00000000e+00 0.00000000e+00
0.10147296E+06 2.39939469e-07 0.00000000e+00 -6.30964271e-08 0.00000000e+00 0.00000000e+00
0.23205683E+05 2.48922958e-06 0.00000000e+00 -6.96233411e-07 0.00000000e+00 0.00000000e+00
0.65977947E+04 2.03828517e-05 0.00000000e+00 -5.45228134e-06 0.00000000e+00 0.00000000e+00
0.21592128E+04 1.25281106e-04 0.00000000e+00 -3.46411729e-05 0.00000000e+00 0.00000000e+00
0.78172085E+03 6.83067352e-04 0.00000000e+00 -1.84452789e-04 0.00000000e+00 0.00000000e+00
0.30551895E+03 3.07681465e-03 0.00000000e+00 -8.49060257e-04 0.00000000e+00 0.00000000e+00
0.12665261E+03 1.23791352e-02 0.00000000e+00 -3.38176614e-03 0.00000000e+00 0.00000000e+00
0.54962206E+02 4.06462503e-02 0.00000000e+00 -1.13892841e-02 0.00000000e+00 0.00000000e+00
0.24715179E+02 1.11176397e-01 0.00000000e+00 -3.14502124e-02 0.00000000e+00 0.00000000e+00
0.11237427E+02 2.25908636e-01 0.00000000e+00 -6.72641304e-02 0.00000000e+00 0.00000000e+00
0.51181605E+01 3.09829259e-01 0.00000000e+00 -9.54495011e-02 0.00000000e+00 0.00000000e+00
0.23326362E+01 2.34255408e-01 0.00000000e+00 -6.02712607e-02 0.00000000e+00 0.00000000e+00
0.10387854E+01 6.32670907e-02 0.00000000e+00 1.16287963e-01 0.00000000e+00 0.00000000e+00
0.45490662E+00 2.93965078e-04 1.00000000e+00 3.39409560e-01 0.00000000e+00 0.00000000e+00
0.18609710E+00 6.37293641e-04 0.00000000e+00 3.68824594e-01 1.00000000e+00 0.00000000e+00
0.71385870E-01 -1.84453257e-04 0.00000000e+00 1.45055250e-01 0.00000000e+00 1.00000000e+00
S D
0.10387854E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.45490662E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.18609710E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (17s,17p,3d) -> [6s,5p,3d]
Cl S
0.76480249E+06 1.82988098e-05 -5.09721915e-06 0.00000000e+00 1.66475754e-06 0.00000000e+00 0.00000000e+00
0.11564524E+06 1.40386433e-04 -3.90898036e-05 0.00000000e+00 1.27840180e-05 0.00000000e+00 0.00000000e+00
0.26504169E+05 7.31223360e-04 -2.03968722e-04 0.00000000e+00 6.65830135e-05 0.00000000e+00 0.00000000e+00
0.75461651E+04 3.05357100e-03 -8.53201636e-04 0.00000000e+00 2.79306207e-04 0.00000000e+00 0.00000000e+00
0.24718940E+04 1.08788062e-02 -3.06952039e-03 0.00000000e+00 1.00234417e-03 0.00000000e+00 0.00000000e+00
0.89553343E+03 3.36657397e-02 -9.68569721e-03 0.00000000e+00 3.18203488e-03 0.00000000e+00 0.00000000e+00
0.35020181E+03 8.85639687e-02 -2.68911642e-02 0.00000000e+00 8.83183789e-03 0.00000000e+00 0.00000000e+00
0.14528124E+03 1.85461286e-01 -6.29704289e-02 0.00000000e+00 2.10502544e-02 0.00000000e+00 0.00000000e+00
0.63111074E+02 2.65005944e-01 -1.14478546e-01 0.00000000e+00 3.87985392e-02 0.00000000e+00 0.00000000e+00
0.28421869E+02 1.92627972e-01 -1.20528966e-01 0.00000000e+00 4.37534118e-02 0.00000000e+00 0.00000000e+00
0.12959526E+02 4.05376173e-02 3.53252267e-02 0.00000000e+00 -1.52337887e-02 0.00000000e+00 0.00000000e+00
0.59387780E+01 -1.60001563e-05 3.31496157e-01 0.00000000e+00 -1.57540840e-01 0.00000000e+00 0.00000000e+00
0.27235973E+01 2.12783247e-04 3.65260992e-01 0.00000000e+00 -2.68272661e-01 0.00000000e+00 0.00000000e+00
0.12172374E+01 -6.40239742e-05 8.90487141e-02 0.00000000e+00 -1.48972433e-02 0.00000000e+00 0.00000000e+00
0.53805556E+00 1.98142195e-05 -1.71986238e-03 1.00000000e+00 4.32595091e-01 0.00000000e+00 0.00000000e+00
0.22181005E+00 -5.68277448e-06 9.14067740e-04 0.00000000e+00 3.76026933e-01 1.00000000e+00 0.00000000e+00
0.85490840E-01 1.21842348e-06 -2.07875461e-04 0.00000000e+00 4.71624286e-02 0.00000000e+00 1.00000000e+00
Cl P
0.76480249E+06 1.14689952e-08 0.00000000e+00 -3.39952984e-09 0.00000000e+00 0.00000000e+00
0.11564524E+06 2.41832996e-07 0.00000000e+00 -6.74225600e-08 0.00000000e+00 0.00000000e+00
0.26504169E+05 2.51044856e-06 0.00000000e+00 -7.31672515e-07 0.00000000e+00 0.00000000e+00
0.75461651E+04 2.04523707e-05 0.00000000e+00 -5.77254975e-06 0.00000000e+00 0.00000000e+00
0.24718940E+04 1.25821940e-04 0.00000000e+00 -3.63752369e-05 0.00000000e+00 0.00000000e+00
0.89553343E+03 6.84481944e-04 0.00000000e+00 -1.94604324e-04 0.00000000e+00 0.00000000e+00
0.35020181E+03 3.08950752e-03 0.00000000e+00 -8.92995337e-04 0.00000000e+00 0.00000000e+00
0.14528124E+03 1.24323732e-02 0.00000000e+00 -3.57409676e-03 0.00000000e+00 0.00000000e+00
0.63111074E+02 4.09679792e-02 0.00000000e+00 -1.20459844e-02 0.00000000e+00 0.00000000e+00
0.28421869E+02 1.12268792e-01 0.00000000e+00 -3.34868348e-02 0.00000000e+00 0.00000000e+00
0.12959526E+02 2.28282975e-01 0.00000000e+00 -7.16396735e-02 0.00000000e+00 0.00000000e+00
0.59387780E+01 3.11721693e-01 0.00000000e+00 -1.01689295e-01 0.00000000e+00 0.00000000e+00
0.27235973E+01 2.30467763e-01 0.00000000e+00 -5.87986622e-02 0.00000000e+00 0.00000000e+00
0.12172374E+01 5.82275986e-02 0.00000000e+00 1.37836490e-01 0.00000000e+00 0.00000000e+00
0.53805556E+00 -1.33359998e-04 1.00000000e+00 3.48720484e-01 0.00000000e+00 0.00000000e+00
0.22181005E+00 6.35386667e-04 0.00000000e+00 3.53829772e-01 1.00000000e+00 0.00000000e+00
0.85490840E-01 -1.78806432e-04 0.00000000e+00 1.31606814e-01 0.00000000e+00 1.00000000e+00
Cl D
0.12172374E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.53805556E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.22181005E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (17s,17p,3d) -> [6s,5p,3d]
Ar S
0.86961319E+06 1.80088448e-05 -5.07923947e-06 0.00000000e+00 1.69779575e-06 0.00000000e+00 0.00000000e+00
0.13139147E+06 1.38303298e-04 -3.89948481e-05 0.00000000e+00 1.30521688e-05 0.00000000e+00 0.00000000e+00
0.30098018E+05 7.20809233e-04 -2.03572007e-04 0.00000000e+00 6.80123231e-05 0.00000000e+00 0.00000000e+00
0.85665166E+04 3.01119441e-03 -8.51976113e-04 0.00000000e+00 2.85452717e-04 0.00000000e+00 0.00000000e+00
0.28054773E+04 1.07347539e-02 -3.06637501e-03 0.00000000e+00 1.02484049e-03 0.00000000e+00 0.00000000e+00
0.10159956E+04 3.32662012e-02 -9.69086835e-03 0.00000000e+00 3.25880444e-03 0.00000000e+00 0.00000000e+00
0.39716608E+03 8.77107524e-02 -2.69538759e-02 0.00000000e+00 9.06264616e-03 0.00000000e+00 0.00000000e+00
0.16475552E+03 1.84294692e-01 -6.33351402e-02 0.00000000e+00 2.16843607e-02 0.00000000e+00 0.00000000e+00
0.71590105E+02 2.64835036e-01 -1.15666903e-01 0.00000000e+00 4.01817498e-02 0.00000000e+00 0.00000000e+00
0.32264886E+02 1.94170758e-01 -1.22849546e-01 0.00000000e+00 4.58076965e-02 0.00000000e+00 0.00000000e+00
0.14745584E+02 4.15297888e-02 3.38137331e-02 0.00000000e+00 -1.52411796e-02 0.00000000e+00 0.00000000e+00
0.67960559E+01 3.59111365e-05 3.34757208e-01 0.00000000e+00 -1.64849342e-01 0.00000000e+00 0.00000000e+00
0.31380140E+01 2.11081730e-04 3.65784213e-01 0.00000000e+00 -2.79551772e-01 0.00000000e+00 0.00000000e+00
0.14100145E+01 -6.09366395e-05 8.70111449e-02 0.00000000e+00 3.56775122e-03 0.00000000e+00 0.00000000e+00
0.62528925E+00 1.76918183e-05 -1.85141209e-03 1.00000000e+00 4.39375576e-01 0.00000000e+00 0.00000000e+00
0.25926923E+00 -4.74566195e-06 9.28307490e-04 0.00000000e+00 3.64203400e-01 1.00000000e+00 0.00000000e+00
0.10038419E+00 9.63949479e-07 -2.10543722e-04 0.00000000e+00 4.55112597e-02 0.00000000e+00 1.00000000e+00
Ar P
0.86961319E+06 1.15251127e-08 0.00000000e+00 -3.50419860e-09 0.00000000e+00 0.00000000e+00
0.13139147E+06 2.41585561e-07 0.00000000e+00 -7.05629553e-08 0.00000000e+00 0.00000000e+00
0.30098018E+05 2.52231395e-06 0.00000000e+00 -7.58466648e-07 0.00000000e+00 0.00000000e+00
0.85665166E+04 2.04860334e-05 0.00000000e+00 -6.03232849e-06 0.00000000e+00 0.00000000e+00
0.28054773E+04 1.26433188e-04 0.00000000e+00 -3.78260735e-05 0.00000000e+00 0.00000000e+00
0.10159956E+04 6.87296773e-04 0.00000000e+00 -2.03473891e-04 0.00000000e+00 0.00000000e+00
0.39716608E+03 3.11292905e-03 0.00000000e+00 -9.32626865e-04 0.00000000e+00 0.00000000e+00
0.16475552E+03 1.25349836e-02 0.00000000e+00 -3.75087534e-03 0.00000000e+00 0.00000000e+00
0.71590105E+02 4.14691441e-02 0.00000000e+00 -1.26600504e-02 0.00000000e+00 0.00000000e+00
0.32264886E+02 1.13748596e-01 0.00000000e+00 -3.53798471e-02 0.00000000e+00 0.00000000e+00
0.14745584E+02 2.31006677e-01 0.00000000e+00 -7.55753279e-02 0.00000000e+00 0.00000000e+00
0.67960559E+01 3.12896912e-01 0.00000000e+00 -1.06788274e-01 0.00000000e+00 0.00000000e+00
0.31380140E+01 2.26033743e-01 0.00000000e+00 -5.62841955e-02 0.00000000e+00 0.00000000e+00
0.14100145E+01 5.39588585e-02 0.00000000e+00 1.56914068e-01 0.00000000e+00 0.00000000e+00
0.62528925E+00 -3.17169668e-04 1.00000000e+00 3.55308967e-01 0.00000000e+00 0.00000000e+00
0.25926923E+00 5.91110221e-04 0.00000000e+00 3.40123599e-01 1.00000000e+00 0.00000000e+00
0.10038419E+00 -1.63692222e-04 0.00000000e+00 1.21321962e-01 0.00000000e+00 1.00000000e+00
Ar D
0.14100145E+01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.62528925E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.25926923E+00 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (19s,19p,3d) -> [7s,5p,3d]
K S
0.13966588E+07 1.14778207e-05 -3.27387218e-06 1.14074606e-06 0.00000000e+00 0.00000000e+00 -2.70667791e-07 0.00000000e+00
0.20799864E+06 8.99559843e-05 -2.56546926e-05 8.94353284e-06 0.00000000e+00 0.00000000e+00 -2.12233815e-06 0.00000000e+00
0.47177564E+05 4.74223341e-04 -1.35390445e-04 4.71689194e-05 0.00000000e+00 0.00000000e+00 -1.11913210e-05 0.00000000e+00
0.13334829E+05 2.00049743e-03 -5.71986416e-04 1.99500066e-04 0.00000000e+00 0.00000000e+00 -4.73464513e-05 0.00000000e+00
0.43432029E+04 7.21795897e-03 -2.07768459e-03 7.24254548e-04 0.00000000e+00 0.00000000e+00 -1.71839727e-04 0.00000000e+00
0.15656732E+04 2.28292860e-02 -6.66877260e-03 2.33164798e-03 0.00000000e+00 0.00000000e+00 -5.53525316e-04 0.00000000e+00
0.60976396E+03 6.27041717e-02 -1.90431318e-02 6.67173002e-03 0.00000000e+00 0.00000000e+00 -1.58369267e-03 0.00000000e+00
0.25223804E+03 1.42675384e-01 -4.71493767e-02 1.67011093e-02 0.00000000e+00 0.00000000e+00 -3.97046726e-03 0.00000000e+00
0.10952008E+03 2.40598679e-01 -9.52693899e-02 3.42898063e-02 0.00000000e+00 0.00000000e+00 -8.16096627e-03 0.00000000e+00
0.49350090E+02 2.41718385e-01 -1.33222483e-01 5.01057413e-02 0.00000000e+00 0.00000000e+00 -1.19919018e-02 0.00000000e+00
0.22711415E+02 9.49993762e-02 -5.57194403e-02 2.23254227e-02 0.00000000e+00 0.00000000e+00 -5.35735623e-03 0.00000000e+00
0.10559381E+02 4.52468410e-03 2.11689006e-01 -1.00420035e-01 0.00000000e+00 0.00000000e+00 2.45226388e-02 0.00000000e+00
0.49783137E+01 1.01093935e-03 4.05274455e-01 -2.65275492e-01 0.00000000e+00 0.00000000e+00 6.76910140e-02 0.00000000e+00
0.23607450E+01 -6.40456299e-04 2.02787862e-01 -1.85920885e-01 0.00000000e+00 0.00000000e+00 5.00301331e-02 0.00000000e+00
0.10774820E+01 3.40802984e-04 1.41312123e-02 2.89447073e-01 0.00000000e+00 0.00000000e+00 -8.76151947e-02 0.00000000e+00
0.46828673E+00 -1.58106295e-04 2.01405499e-04 4.89485448e-01 0.00000000e+00 0.00000000e+00 -2.13579561e-01 0.00000000e+00
0.19204164E+00 5.84661698e-05 -1.52080449e-04 1.43377988e-01 1.00000000e+00 0.00000000e+00 -9.49007082e-02 0.00000000e+00
0.50448060E-01 -1.92204360e-05 5.90368143e-05 -1.65080735e-03 0.00000000e+00 1.00000000e+00 3.98302735e-01 0.00000000e+00
0.20960330E-01 7.59180269e-06 -2.39770949e-05 1.00521060e-03 0.00000000e+00 0.00000000e+00 4.23012629e-01 1.00000000e+00
K P
0.13966588E+07 6.21089564e-09 -2.11594319e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.20799864E+06 1.34865448e-07 -4.16255920e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.47177564E+05 1.42626560e-06 -4.72782869e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13334829E+05 1.17464440e-05 -3.69887938e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.43432029E+04 7.31910500e-05 -2.39373819e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.15656732E+04 4.03346388e-04 -1.28379940e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.60976396E+03 1.86404596e-03 -6.07531443e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.25223804E+03 7.71270425e-03 -2.48351384e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10952008E+03 2.68634805e-02 -8.86707186e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.49350090E+02 7.92013586e-02 -2.63678394e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.22711415E+02 1.81643081e-01 -6.35005806e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10559381E+02 2.91864438e-01 -1.06466547e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.49783137E+01 2.77278211e-01 -1.00078271e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.23607450E+01 1.15974425e-01 5.31641856e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10774820E+01 1.02860194e-02 3.13112330e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.46828673E+00 -4.15924643e-05 3.92496910e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.19204164E+00 -2.06082291e-05 1.86911314e-01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.50448060E-01 1.25131960e-05 1.29799641e-02 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.20960330E-01 -5.73757978e-06 -2.92826174e-03 0.00000000e+00 0.00000000e+00 1.00000000e+00
K D
0.46828673E+00 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.19204164E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.50448060E-01 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (19s,19p,3d) -> [7s,5p,3d]
Ca S
0.17771786E+07 9.77631220e-06 -2.81727533e-06 1.01697170e-06 0.00000000e+00 0.00000000e+00 -2.84329675e-07 0.00000000e+00
0.25848182E+06 7.88197507e-05 -2.27117078e-05 8.20026859e-06 0.00000000e+00 0.00000000e+00 -2.29307604e-06 0.00000000e+00
0.57934969E+05 4.20135897e-04 -1.21171698e-04 4.37392367e-05 0.00000000e+00 0.00000000e+00 -1.22279513e-05 0.00000000e+00
0.16273773E+05 1.78288855e-03 -5.14949682e-04 1.85993748e-04 0.00000000e+00 0.00000000e+00 -5.20161518e-05 0.00000000e+00
0.52823611E+04 6.45846245e-03 -1.87671296e-03 6.77878780e-04 0.00000000e+00 0.00000000e+00 -1.89510699e-04 0.00000000e+00
0.19008914E+04 2.05196380e-02 -6.04482081e-03 2.18809227e-03 0.00000000e+00 0.00000000e+00 -6.12146826e-04 0.00000000e+00
0.73980804E+03 5.68485650e-02 -1.73542251e-02 6.29969769e-03 0.00000000e+00 0.00000000e+00 -1.76200519e-03 0.00000000e+00
0.30610581E+03 1.31639738e-01 -4.34542504e-02 1.59217990e-02 0.00000000e+00 0.00000000e+00 -4.46138281e-03 0.00000000e+00
0.13305587E+03 2.30366538e-01 -8.98647696e-02 3.34860699e-02 0.00000000e+00 0.00000000e+00 -9.39227084e-03 0.00000000e+00
0.60071765E+02 2.49335578e-01 -1.32923336e-01 5.15080166e-02 0.00000000e+00 0.00000000e+00 -1.45386900e-02 0.00000000e+00
0.27803128E+02 1.13543299e-01 -7.58882810e-02 3.15937785e-02 0.00000000e+00 0.00000000e+00 -8.94720109e-03 0.00000000e+00
0.13030831E+02 8.73923483e-03 1.71963003e-01 -8.36065142e-02 0.00000000e+00 0.00000000e+00 2.40780509e-02 0.00000000e+00
0.62071010E+01 9.35475722e-04 4.00866727e-01 -2.60683664e-01 0.00000000e+00 0.00000000e+00 7.86956827e-02 0.00000000e+00
0.29811642E+01 -6.50632044e-04 2.41407838e-01 -2.30886456e-01 0.00000000e+00 0.00000000e+00 7.40839951e-02 0.00000000e+00
0.13797003E+01 3.72372368e-04 2.51419229e-02 2.37546859e-01 0.00000000e+00 0.00000000e+00 -8.68398762e-02 0.00000000e+00
0.62060214E+00 -1.83423070e-04 -4.38868109e-04 5.13544116e-01 0.00000000e+00 0.00000000e+00 -2.62311652e-01 0.00000000e+00
0.26427748E+00 6.97465127e-05 4.25623845e-05 1.76102674e-01 1.00000000e+00 0.00000000e+00 -1.33411784e-01 0.00000000e+00
0.75729910E-01 -2.21874083e-05 3.33060554e-06 2.25917890e-04 0.00000000e+00 1.00000000e+00 4.86549691e-01 0.00000000e+00
0.30317930E-01 7.96670569e-06 -2.39104011e-06 5.61805709e-04 0.00000000e+00 0.00000000e+00 3.69862772e-01 1.00000000e+00
Ca P
0.17771786E+07 5.04558563e-09 -1.81927195e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.25848182E+06 1.12977792e-07 -3.71661843e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57934969E+05 1.22898883e-06 -4.31954127e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.16273773E+05 1.01257798e-05 -3.39378356e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.52823611E+04 6.37836217e-05 -2.21435050e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.19008914E+04 3.50993709e-04 -1.18822050e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.73980804E+03 1.63433207e-03 -5.65641073e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.30610581E+03 6.77648060e-03 -2.31971993e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13305587E+03 2.39185878e-02 -8.38112899e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.60071765E+02 7.14534900e-02 -2.52702153e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27803128E+02 1.68169233e-01 -6.23352254e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13030831E+02 2.81605631e-01 -1.09180584e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.62071010E+01 2.86170889e-01 -1.12384587e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.29811642E+01 1.35204069e-01 3.14656692e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13797003E+01 1.57037033e-02 3.05907166e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.62060214E+00 -2.85296719e-04 4.02023600e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.26427748E+00 7.41712871e-05 1.92001540e-01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.75729910E-01 -1.64848792e-05 1.23698241e-02 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.30317930E-01 5.90669851e-06 -2.30775365e-03 0.00000000e+00 0.00000000e+00 1.00000000e+00
Ca D
0.62060214E+00 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.26427748E+00 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.75729910E-01 0.00000000e+00 0.00000000e+00 1.00000000e+00
#BASIS SET: (19s,19p,19d) -> [7s,5p,4d]
Sc S
0.15652910E+07 1.27569524e-05 -3.71173026e-06 1.36283713e-06 0.00000000e+00 0.00000000e+00 -3.82075925e-07 0.00000000e+00
0.23534433E+06 9.87902229e-05 -2.87379450e-05 1.05604257e-05 0.00000000e+00 0.00000000e+00 -2.96008444e-06 0.00000000e+00
0.53650189E+05 5.18281424e-04 -1.50952626e-04 5.54103037e-05 0.00000000e+00 0.00000000e+00 -1.55359851e-05 0.00000000e+00
0.15207381E+05 2.17961783e-03 -6.35797047e-04 2.33799329e-04 0.00000000e+00 0.00000000e+00 -6.55304324e-05 0.00000000e+00
0.49624778E+04 7.84062856e-03 -2.30403058e-03 8.46179702e-04 0.00000000e+00 0.00000000e+00 -2.37302397e-04 0.00000000e+00
0.17915827E+04 2.46947370e-02 -7.37189522e-03 2.71886945e-03 0.00000000e+00 0.00000000e+00 -7.62200762e-04 0.00000000e+00
0.69862145E+03 6.73274406e-02 -2.09638286e-02 7.74235915e-03 0.00000000e+00 0.00000000e+00 -2.17318730e-03 0.00000000e+00
0.28935194E+03 1.51050267e-01 -5.14846226e-02 1.92799759e-02 0.00000000e+00 0.00000000e+00 -5.41317928e-03 0.00000000e+00
0.12578894E+03 2.47286769e-01 -1.02355593e-01 3.89622340e-02 0.00000000e+00 0.00000000e+00 -1.09825198e-02 0.00000000e+00
0.56804184E+02 2.33914168e-01 -1.36419295e-01 5.48105298e-02 0.00000000e+00 0.00000000e+00 -1.54984351e-02 0.00000000e+00
0.26183660E+02 8.20251155e-02 -4.01131977e-02 1.66947494e-02 0.00000000e+00 0.00000000e+00 -4.85228965e-03 0.00000000e+00
0.12231895E+02 2.55934184e-03 2.51644405e-01 -1.30747815e-01 0.00000000e+00 0.00000000e+00 3.84337487e-02 0.00000000e+00
0.57796726E+01 9.79182680e-04 4.09113420e-01 -3.07613438e-01 0.00000000e+00 0.00000000e+00 9.41616952e-02 0.00000000e+00
0.27308346E+01 -6.02902742e-04 1.63517743e-01 -1.34829587e-01 0.00000000e+00 0.00000000e+00 4.58970365e-02 0.00000000e+00
0.12660639E+01 3.37235280e-04 4.73200391e-03 3.88376745e-01 0.00000000e+00 0.00000000e+00 -1.56733086e-01 0.00000000e+00
0.56756421E+00 -1.70236828e-04 1.31113721e-03 4.49189843e-01 0.00000000e+00 0.00000000e+00 -2.57615757e-01 0.00000000e+00
0.23855345E+00 7.56105428e-05 -5.98751964e-04 8.84844188e-02 1.00000000e+00 0.00000000e+00 -7.66285404e-02 0.00000000e+00
0.91083760E-01 -2.94925443e-05 2.34385954e-04 -2.98197908e-03 0.00000000e+00 1.00000000e+00 4.77413348e-01 0.00000000e+00
0.35242560E-01 8.23387969e-06 -6.56735169e-05 7.75507700e-04 0.00000000e+00 0.00000000e+00 3.87360215e-01 1.00000000e+00
Sc P
0.15652910E+07 7.49820810e-09 -2.74351300e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.23534433E+06 1.59619142e-07 -5.44756375e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.53650189E+05 1.67570848e-06 -6.01393336e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.15207381E+05 1.37435815e-05 -4.75697296e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.49624778E+04 8.53508728e-05 -3.03474211e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.17915827E+04 4.68956674e-04 -1.63636858e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.69862145E+03 2.15880731e-03 -7.66874310e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.28935194E+03 8.89867540e-03 -3.14101709e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12578894E+03 3.06980705e-02 -1.10861961e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.56804184E+02 8.93013644e-02 -3.27382464e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.26183660E+02 1.98868966e-01 -7.68387866e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12231895E+02 3.04501785e-01 -1.23392345e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57796726E+01 2.62050615e-01 -9.63157265e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27308346E+01 8.76221050e-02 1.15061926e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12660639E+01 3.90903249e-03 3.72228935e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.56756421E+00 4.92284889e-04 3.58365254e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.23855345E+00 -2.41253115e-04 1.10131812e-01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.91083760E-01 1.01314207e-04 3.60379178e-04 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.35242560E-01 -3.18602099e-05 7.63262270e-04 0.00000000e+00 0.00000000e+00 1.00000000e+00
Sc D
0.15652910E+07 0.00000000e+00 -3.12517462e-12 0.00000000e+00 0.00000000e+00
0.23534433E+06 0.00000000e+00 1.07778834e-10 0.00000000e+00 0.00000000e+00
0.53650189E+05 0.00000000e+00 1.24662329e-10 0.00000000e+00 0.00000000e+00
0.15207381E+05 0.00000000e+00 1.58059559e-08 0.00000000e+00 0.00000000e+00
0.49624778E+04 0.00000000e+00 1.09674561e-07 0.00000000e+00 0.00000000e+00
0.17915827E+04 0.00000000e+00 1.26617342e-06 0.00000000e+00 0.00000000e+00
0.69862145E+03 0.00000000e+00 8.54188114e-06 0.00000000e+00 0.00000000e+00
0.28935194E+03 0.00000000e+00 5.92021014e-05 0.00000000e+00 0.00000000e+00
0.12578894E+03 0.00000000e+00 3.18115559e-04 0.00000000e+00 0.00000000e+00
0.56804184E+02 0.00000000e+00 1.57150005e-03 0.00000000e+00 0.00000000e+00
0.26183660E+02 0.00000000e+00 6.31538451e-03 0.00000000e+00 0.00000000e+00
0.12231895E+02 0.00000000e+00 2.13211747e-02 0.00000000e+00 0.00000000e+00
0.57796726E+01 0.00000000e+00 5.72199927e-02 0.00000000e+00 0.00000000e+00
0.27308346E+01 0.00000000e+00 1.24180729e-01 0.00000000e+00 0.00000000e+00
0.12660639E+01 0.00000000e+00 1.97643077e-01 0.00000000e+00 0.00000000e+00
0.56756421E+00 1.00000000e+00 2.33259267e-01 0.00000000e+00 0.00000000e+00
0.23855345E+00 0.00000000e+00 2.25863828e-01 1.00000000e+00 0.00000000e+00
0.91083760E-01 0.00000000e+00 1.47528068e-01 0.00000000e+00 1.00000000e+00
0.35242560E-01 0.00000000e+00 3.00577587e-02 0.00000000e+00 0.00000000e+00
#BASIS SET: (19s,19p,19d) -> [7s,5p,4d]
Ti S
0.16563474E+07 1.33424621e-05 -3.91560603e-06 1.45488672e-06 0.00000000e+00 0.00000000e+00 -4.02726005e-07 0.00000000e+00
0.25011032E+06 1.02716371e-04 -3.01396805e-05 1.12081583e-05 0.00000000e+00 0.00000000e+00 -3.10229239e-06 0.00000000e+00
0.57186409E+05 5.37069658e-04 -1.57776789e-04 5.86076896e-05 0.00000000e+00 0.00000000e+00 -1.62238930e-05 0.00000000e+00
0.16244153E+05 2.25291416e-03 -6.62966455e-04 2.46716084e-04 0.00000000e+00 0.00000000e+00 -6.82885550e-05 0.00000000e+00
0.53094382E+04 8.08633927e-03 -2.39736799e-03 8.91023762e-04 0.00000000e+00 0.00000000e+00 -2.46693839e-04 0.00000000e+00
0.19194265E+04 2.54037817e-02 -7.65585306e-03 2.85790572e-03 0.00000000e+00 0.00000000e+00 -7.91257107e-04 0.00000000e+00
0.74935518E+03 6.90205629e-02 -2.17173239e-02 8.11941040e-03 0.00000000e+00 0.00000000e+00 -2.24989157e-03 0.00000000e+00
0.31069935E+03 1.53970573e-01 -5.31713505e-02 2.01694149e-02 0.00000000e+00 0.00000000e+00 -5.59407787e-03 0.00000000e+00
0.13520646E+03 2.49340010e-01 -1.05029983e-01 4.05342145e-02 0.00000000e+00 0.00000000e+00 -1.12797222e-02 0.00000000e+00
0.61137394E+02 2.30819102e-01 -1.37645190e-01 5.62235536e-02 0.00000000e+00 0.00000000e+00 -1.57216281e-02 0.00000000e+00
0.28222466E+02 7.77424699e-02 -3.38833213e-02 1.41246775e-02 0.00000000e+00 0.00000000e+00 -4.03513305e-03 0.00000000e+00
0.13223990E+02 2.08898413e-03 2.65546522e-01 -1.41962789e-01 0.00000000e+00 0.00000000e+00 4.12213655e-02 0.00000000e+00
0.62667549E+01 9.24135939e-04 4.07828792e-01 -3.19312933e-01 0.00000000e+00 0.00000000e+00 9.71763333e-02 0.00000000e+00
0.29614989E+01 -5.52145737e-04 1.50754604e-01 -1.08877647e-01 0.00000000e+00 0.00000000e+00 3.63047673e-02 0.00000000e+00
0.13728668E+01 3.04012042e-04 2.77753781e-03 4.16292012e-01 0.00000000e+00 0.00000000e+00 -1.66914678e-01 0.00000000e+00
0.61488552E+00 -1.52007929e-04 1.41825822e-03 4.29396732e-01 0.00000000e+00 0.00000000e+00 -2.54079180e-01 0.00000000e+00
0.25725375E+00 6.74976392e-05 -6.28239529e-04 7.39004842e-02 1.00000000e+00 0.00000000e+00 -5.11902480e-02 0.00000000e+00
0.99223540E-01 -2.64285782e-05 2.44602009e-04 -2.76339550e-03 0.00000000e+00 1.00000000e+00 4.82787726e-01 0.00000000e+00
0.37872190E-01 7.22030808e-06 -6.68667350e-05 6.36046909e-04 0.00000000e+00 0.00000000e+00 3.71188875e-01 1.00000000e+00
Ti P
0.16563474E+07 8.14429671e-09 -3.00430142e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.25011032E+06 1.70986991e-07 -5.99175830e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57186409E+05 1.79318771e-06 -6.52148583e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.16244153E+05 1.46163586e-05 -5.17546645e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.53094382E+04 9.06969401e-05 -3.27645684e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.19194265E+04 4.96369841e-04 -1.76895613e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.74935518E+03 2.28189037e-03 -8.24775592e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.31069935E+03 9.37639427e-03 -3.37924264e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13520646E+03 3.22463201e-02 -1.18691862e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.61137394E+02 9.32306411e-02 -3.49615571e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.28222466E+02 2.05384978e-01 -8.11978435e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13223990E+02 3.07959506e-01 -1.28007005e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.62667549E+01 2.54764907e-01 -9.12677500e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.29614989E+01 7.84560825e-02 1.38895138e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13728668E+01 2.59268547e-03 3.85690295e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.61488552E+00 5.24443621e-04 3.41499069e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.25725375E+00 -2.46799765e-04 9.28559071e-02 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.99223540E-01 1.02495231e-04 -9.38679669e-04 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.37872190E-01 -3.14381989e-05 8.18505022e-04 0.00000000e+00 0.00000000e+00 1.00000000e+00
Ti D
0.16563474E+07 0.00000000e+00 1.77469579e-13 0.00000000e+00 0.00000000e+00
0.25011032E+06 0.00000000e+00 5.56255017e-11 0.00000000e+00 0.00000000e+00
0.57186409E+05 0.00000000e+00 8.42415086e-10 0.00000000e+00 0.00000000e+00
0.16244153E+05 0.00000000e+00 1.50150568e-08 0.00000000e+00 0.00000000e+00
0.53094382E+04 0.00000000e+00 1.54860857e-07 0.00000000e+00 0.00000000e+00
0.19194265E+04 0.00000000e+00 1.44483513e-06 0.00000000e+00 0.00000000e+00
0.74935518E+03 0.00000000e+00 1.06832484e-05 0.00000000e+00 0.00000000e+00
0.31069935E+03 0.00000000e+00 7.02786602e-05 0.00000000e+00 0.00000000e+00
0.13520646E+03 0.00000000e+00 3.86854366e-04 0.00000000e+00 0.00000000e+00
0.61137394E+02 0.00000000e+00 1.87522946e-03 0.00000000e+00 0.00000000e+00
0.28222466E+02 0.00000000e+00 7.56293672e-03 0.00000000e+00 0.00000000e+00
0.13223990E+02 0.00000000e+00 2.51521278e-02 0.00000000e+00 0.00000000e+00
0.62667549E+01 0.00000000e+00 6.68860160e-02 0.00000000e+00 0.00000000e+00
0.29614989E+01 0.00000000e+00 1.41128384e-01 0.00000000e+00 0.00000000e+00
0.13728668E+01 0.00000000e+00 2.11541140e-01 0.00000000e+00 0.00000000e+00
0.61488552E+00 1.00000000e+00 2.37823265e-01 0.00000000e+00 0.00000000e+00
0.25725375E+00 0.00000000e+00 2.10363644e-01 1.00000000e+00 0.00000000e+00
0.99223540E-01 0.00000000e+00 1.16701585e-01 0.00000000e+00 1.00000000e+00
0.37872190E-01 0.00000000e+00 1.79890539e-02 0.00000000e+00 0.00000000e+00
#BASIS SET: (20s,20p,20d) -> [7s,5p,4d]
V S
0.31082369E+07 6.92136391e-06 -2.04671745e-06 7.67525259e-07 0.00000000e+00 0.00000000e+00 -2.08759648e-07 0.00000000e+00
0.45578683E+06 5.48656377e-05 -1.62276319e-05 6.08293131e-06 0.00000000e+00 0.00000000e+00 -1.65432572e-06 0.00000000e+00
0.10290886E+06 2.90401857e-04 -8.59176413e-05 3.22274914e-05 0.00000000e+00 0.00000000e+00 -8.76606627e-06 0.00000000e+00
0.29025933E+05 1.22902423e-03 -3.64204068e-04 1.36523102e-04 0.00000000e+00 0.00000000e+00 -3.71281400e-05 0.00000000e+00
0.94457094E+04 4.45608893e-03 -1.32563861e-03 4.97658300e-04 0.00000000e+00 0.00000000e+00 -1.35383584e-04 0.00000000e+00
0.34055597E+04 1.42596549e-02 -4.28952901e-03 1.61023092e-03 0.00000000e+00 0.00000000e+00 -4.37972210e-04 0.00000000e+00
0.13276609E+04 4.03734403e-02 -1.24623002e-02 4.69923278e-03 0.00000000e+00 0.00000000e+00 -1.27912328e-03 0.00000000e+00
0.55053015E+03 9.82390199e-02 -3.22090773e-02 1.22033458e-02 0.00000000e+00 0.00000000e+00 -3.32282188e-03 0.00000000e+00
0.23995778E+03 1.91246278e-01 -7.11219330e-02 2.74154108e-02 0.00000000e+00 0.00000000e+00 -7.48307151e-03 0.00000000e+00
0.10881931E+03 2.55814375e-01 -1.22200379e-01 4.83617782e-02 0.00000000e+00 0.00000000e+00 -1.32372941e-02 0.00000000e+00
0.50968671E+02 1.76474251e-01 -1.20955763e-01 5.12866103e-02 0.00000000e+00 0.00000000e+00 -1.41714495e-02 0.00000000e+00
0.24267879E+02 3.68941891e-02 4.64605969e-02 -2.31869963e-02 0.00000000e+00 0.00000000e+00 6.52200224e-03 0.00000000e+00
0.11749414E+02 4.15177776e-04 3.39818418e-01 -2.01875062e-01 0.00000000e+00 0.00000000e+00 5.81541788e-02 0.00000000e+00
0.57378840E+01 3.34070193e-05 3.53407310e-01 -3.14123261e-01 0.00000000e+00 0.00000000e+00 9.60774293e-02 0.00000000e+00
0.27641442E+01 4.23387203e-05 8.84907985e-02 2.36438059e-02 0.00000000e+00 0.00000000e+00 -8.97101486e-03 0.00000000e+00
0.12931613E+01 -4.02540085e-05 -5.36242486e-04 4.73966277e-01 0.00000000e+00 0.00000000e+00 -1.96469960e-01 0.00000000e+00
0.58712776E+00 2.42682453e-05 9.11354697e-04 3.46503846e-01 0.00000000e+00 0.00000000e+00 -2.30381054e-01 0.00000000e+00
0.24904640E+00 -1.16231015e-05 -3.64353456e-04 3.93487589e-02 1.00000000e+00 0.00000000e+00 1.99750533e-02 0.00000000e+00
0.97839380E-01 4.67850836e-06 1.35826551e-04 -9.45102875e-04 0.00000000e+00 1.00000000e+00 5.02449130e-01 0.00000000e+00
0.37831090E-01 -1.27507134e-06 -3.60629684e-05 1.17003348e-04 0.00000000e+00 0.00000000e+00 3.14484516e-01 1.00000000e+00
V P
0.31082369E+07 3.39257124e-09 -1.24291494e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.45578683E+06 6.94346892e-08 -2.50353572e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10290886E+06 7.84716502e-07 -2.86269825e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.29025933E+05 6.20552302e-06 -2.24519546e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.94457094E+04 4.00058074e-05 -1.45673711e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.34055597E+04 2.15868461e-04 -7.83055770e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13276609E+04 1.02702513e-03 -3.74498881e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.55053015E+03 4.26505559e-03 -1.55749733e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.23995778E+03 1.56952225e-02 -5.79271613e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10881931E+03 4.88230922e-02 -1.83159183e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.50968671E+02 1.25348441e-01 -4.85916423e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.24267879E+02 2.40195342e-01 -9.81756825e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.11749414E+02 3.03156595e-01 -1.29481873e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57378840E+01 2.01628509e-01 -4.58787619e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27641442E+01 4.48096704e-02 2.14412056e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12931613E+01 3.80606988e-04 3.98557321e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.58712776E+00 3.20872220e-04 2.81590583e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.24904640E+00 -1.35088433e-04 5.80189496e-02 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.97839380E-01 5.36268796e-05 -1.41252002e-03 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.37831090E-01 -1.60034894e-05 5.57606856e-04 0.00000000e+00 0.00000000e+00 1.00000000e+00
V D
0.31082369E+07 -6.88756216e-12 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.45578683E+06 1.58729486e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10290886E+06 -9.57614555e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.29025933E+05 1.35224580e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.94457094E+04 1.78679078e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.34055597E+04 7.15381694e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13276609E+04 3.43195435e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.55053015E+03 2.93679428e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.23995778E+03 1.48725544e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10881931E+03 7.97583333e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.50968671E+02 3.31845935e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.24267879E+02 1.23282042e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.11749414E+02 3.60213450e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57378840E+01 8.78980834e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27641442E+01 1.66198693e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12931613E+01 2.22504791e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.58712776E+00 2.27077927e-01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.24904640E+00 1.82809357e-01 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.97839380E-01 8.48388870e-02 0.00000000e+00 0.00000000e+00 1.00000000e+00
0.37831090E-01 9.26952873e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
#BASIS SET: (20s,20p,20d) -> [7s,5p,4d]
Cr S
0.34895641E+07 6.63949043e-06 -1.97749627e-06 7.42294942e-07 0.00000000e+00 0.00000000e+00 -1.82238209e-07 0.00000000e+00
0.51681264E+06 5.19835957e-05 -1.54856860e-05 5.81062736e-06 0.00000000e+00 0.00000000e+00 -1.42664910e-06 0.00000000e+00
0.11717335E+06 2.74457348e-04 -8.17833797e-05 3.07064757e-05 0.00000000e+00 0.00000000e+00 -7.53844998e-06 0.00000000e+00
0.33078823E+05 1.16215651e-03 -3.46835755e-04 1.30143851e-04 0.00000000e+00 0.00000000e+00 -3.19552548e-05 0.00000000e+00
0.10759427E+05 4.22160813e-03 -1.26463232e-03 4.75201927e-04 0.00000000e+00 0.00000000e+00 -1.16666309e-04 0.00000000e+00
0.38746747E+04 1.35519069e-02 -4.10324585e-03 1.54183171e-03 0.00000000e+00 0.00000000e+00 -3.78664969e-04 0.00000000e+00
0.15082620E+04 3.85616431e-02 -1.19702993e-02 4.51747810e-03 0.00000000e+00 0.00000000e+00 -1.10955278e-03 0.00000000e+00
0.62437655E+03 9.46132248e-02 -3.11324367e-02 1.18055741e-02 0.00000000e+00 0.00000000e+00 -2.90277035e-03 0.00000000e+00
0.27166765E+03 1.86734891e-01 -6.94476067e-02 2.67818878e-02 0.00000000e+00 0.00000000e+00 -6.59351489e-03 0.00000000e+00
0.12302180E+03 2.55510413e-01 -1.21281248e-01 4.80200868e-02 0.00000000e+00 0.00000000e+00 -1.18714200e-02 0.00000000e+00
0.57574455E+02 1.83236862e-01 -1.25054281e-01 5.29509672e-02 0.00000000e+00 0.00000000e+00 -1.31659296e-02 0.00000000e+00
0.27412998E+02 4.11427687e-02 3.62750192e-02 -1.82827306e-02 0.00000000e+00 0.00000000e+00 4.56977946e-03 0.00000000e+00
0.13274603E+02 4.86822862e-04 3.34132517e-01 -1.97976795e-01 0.00000000e+00 0.00000000e+00 5.14758614e-02 0.00000000e+00
0.64913639E+01 1.30887840e-04 3.60847341e-01 -3.17825864e-01 0.00000000e+00 0.00000000e+00 8.67976712e-02 0.00000000e+00
0.31376009E+01 -1.60614535e-05 9.41404753e-02 1.44931345e-02 0.00000000e+00 0.00000000e+00 -4.93673926e-03 0.00000000e+00
0.14705625E+01 -8.28016500e-06 -1.05548215e-04 4.59424857e-01 0.00000000e+00 0.00000000e+00 -1.66058990e-01 0.00000000e+00
0.66561567E+00 8.16482640e-06 8.79385448e-04 3.58163213e-01 0.00000000e+00 0.00000000e+00 -2.03966769e-01 0.00000000e+00
0.28217535E+00 -4.46013271e-06 -3.55387651e-04 4.84776781e-02 1.00000000e+00 0.00000000e+00 -2.27218208e-02 0.00000000e+00
0.11162248E+00 1.84832025e-06 1.30703199e-04 -1.40831874e-03 0.00000000e+00 1.00000000e+00 3.93653741e-01 0.00000000e+00
0.41415260E-01 -4.88987819e-07 -3.31355326e-05 2.46850285e-04 0.00000000e+00 0.00000000e+00 4.35216293e-01 1.00000000e+00
Cr P
0.34895641E+07 3.26779480e-09 -1.19847336e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.51681264E+06 6.51830476e-08 -2.35456340e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.11717335E+06 7.36130039e-07 -2.68894773e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.33078823E+05 5.80544917e-06 -2.10405291e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10759427E+05 3.75680548e-05 -1.36987613e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.38746747E+04 2.03033396e-04 -7.37701919e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.15082620E+04 9.70967712e-04 -3.54559494e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.62437655E+03 4.05165906e-03 -1.48184825e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27166765E+03 1.50277331e-02 -5.55403938e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12302180E+03 4.71559764e-02 -1.77150737e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57574455E+02 1.22430563e-01 -4.75360247e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27412998E+02 2.37989880e-01 -9.74259892e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13274603E+02 3.04510903e-01 -1.30567357e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.64913639E+01 2.04983298e-01 -4.83283142e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.31376009E+01 4.64300207e-02 2.10171479e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.14705625E+01 5.83624999e-04 3.90788368e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.66561567E+00 2.88829577e-04 2.88379322e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.28217535E+00 -1.22437997e-04 6.70354296e-02 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.11162248E+00 4.77958432e-05 -8.58257839e-04 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.41415260E-01 -1.36414792e-05 5.34212547e-04 0.00000000e+00 0.00000000e+00 1.00000000e+00
Cr D
0.34895641E+07 0.00000000e+00 -5.57861532e-12 0.00000000e+00 0.00000000e+00
0.51681264E+06 0.00000000e+00 1.28431436e-10 0.00000000e+00 0.00000000e+00
0.11717335E+06 0.00000000e+00 -7.14865998e-10 0.00000000e+00 0.00000000e+00
0.33078823E+05 0.00000000e+00 1.13204204e-08 0.00000000e+00 0.00000000e+00
0.10759427E+05 0.00000000e+00 2.15787140e-08 0.00000000e+00 0.00000000e+00
0.38746747E+04 0.00000000e+00 6.33398859e-07 0.00000000e+00 0.00000000e+00
0.15082620E+04 0.00000000e+00 3.25441682e-06 0.00000000e+00 0.00000000e+00
0.62437655E+03 0.00000000e+00 2.69076452e-05 0.00000000e+00 0.00000000e+00
0.27166765E+03 0.00000000e+00 1.39945036e-04 0.00000000e+00 0.00000000e+00
0.12302180E+03 0.00000000e+00 7.47575263e-04 0.00000000e+00 0.00000000e+00
0.57574455E+02 0.00000000e+00 3.15602216e-03 0.00000000e+00 0.00000000e+00
0.27412998E+02 0.00000000e+00 1.18006081e-02 0.00000000e+00 0.00000000e+00
0.13274603E+02 0.00000000e+00 3.47770263e-02 0.00000000e+00 0.00000000e+00
0.64913639E+01 0.00000000e+00 8.46476798e-02 0.00000000e+00 0.00000000e+00
0.31376009E+01 0.00000000e+00 1.58183963e-01 0.00000000e+00 0.00000000e+00
0.14705625E+01 0.00000000e+00 2.08411731e-01 0.00000000e+00 0.00000000e+00
0.66561567E+00 1.00000000e+00 2.17233752e-01 0.00000000e+00 0.00000000e+00
0.28217535E+00 0.00000000e+00 1.88739364e-01 1.00000000e+00 0.00000000e+00
0.11162248E+00 0.00000000e+00 1.23790626e-01 0.00000000e+00 1.00000000e+00
0.41415260E-01 0.00000000e+00 3.78592067e-02 0.00000000e+00 0.00000000e+00
#BASIS SET: (20s,20p,20d) -> [7s,5p,4d]
Mn S
0.35848985E+07 7.16633953e-06 -2.14804234e-06 8.14947709e-07 0.00000000e+00 0.00000000e+00 -2.13156676e-07 0.00000000e+00
0.52158600E+06 5.74038930e-05 -1.72073302e-05 6.52822519e-06 0.00000000e+00 0.00000000e+00 -1.70741579e-06 0.00000000e+00
0.11723769E+06 3.05094406e-04 -9.15032927e-05 3.47181866e-05 0.00000000e+00 0.00000000e+00 -9.08116167e-06 0.00000000e+00
0.32994698E+05 1.29331437e-03 -3.88432670e-04 1.47397425e-04 0.00000000e+00 0.00000000e+00 -3.85508237e-05 0.00000000e+00
0.10724510E+05 4.69253006e-03 -1.41564241e-03 5.37490999e-04 0.00000000e+00 0.00000000e+00 -1.40606125e-04 0.00000000e+00
0.38631793E+04 1.50161521e-02 -4.58124415e-03 1.74155364e-03 0.00000000e+00 0.00000000e+00 -4.55576223e-04 0.00000000e+00
0.15049752E+04 4.24374366e-02 -1.33110735e-02 5.07684958e-03 0.00000000e+00 0.00000000e+00 -1.32886920e-03 0.00000000e+00
0.62371803E+03 1.02725910e-01 -3.43080094e-02 1.31795994e-02 0.00000000e+00 0.00000000e+00 -3.45189628e-03 0.00000000e+00
0.27180369E+03 1.97399603e-01 -7.53303842e-02 2.94095637e-02 0.00000000e+00 0.00000000e+00 -7.72044912e-03 0.00000000e+00
0.12328609E+03 2.56855660e-01 -1.27132256e-01 5.12780167e-02 0.00000000e+00 0.00000000e+00 -1.35087601e-02 0.00000000e+00
0.57764299E+02 1.67376418e-01 -1.18790687e-01 5.11922354e-02 0.00000000e+00 0.00000000e+00 -1.36112303e-02 0.00000000e+00
0.27551906E+02 3.09906864e-02 6.87330713e-02 -3.43750627e-02 0.00000000e+00 0.00000000e+00 9.28818556e-03 0.00000000e+00
0.13384117E+02 4.58847437e-04 3.61522011e-01 -2.27707660e-01 0.00000000e+00 0.00000000e+00 6.34645441e-02 0.00000000e+00
0.65772154E+01 -1.66925265e-04 3.34016356e-01 -3.08747069e-01 0.00000000e+00 0.00000000e+00 9.11986915e-02 0.00000000e+00
0.31824545E+01 1.61704785e-04 7.06603740e-02 8.01984822e-02 0.00000000e+00 0.00000000e+00 -2.72673676e-02 0.00000000e+00
0.14884972E+01 -1.04492287e-04 -6.08846960e-04 4.88405416e-01 0.00000000e+00 0.00000000e+00 -1.98561904e-01 0.00000000e+00
0.67404844E+00 5.57881429e-05 5.74508869e-04 3.11300764e-01 0.00000000e+00 0.00000000e+00 -2.11927975e-01 0.00000000e+00
0.28489897E+00 -2.51718420e-05 -2.08872027e-04 2.76386584e-02 1.00000000e+00 0.00000000e+00 4.99912899e-02 0.00000000e+00
0.11006157E+00 9.74332064e-06 7.32990510e-05 -1.77885181e-04 0.00000000e+00 1.00000000e+00 4.96617879e-01 0.00000000e+00
0.41615370E-01 -2.62794940e-06 -1.90928343e-05 -7.14331945e-05 0.00000000e+00 0.00000000e+00 2.98615387e-01 1.00000000e+00
Mn P
0.35848985E+07 3.60848785e-09 -1.37025325e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.52158600E+06 7.61744069e-08 -2.76681541e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.11723769E+06 8.56997669e-07 -3.21550796e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.32994698E+05 6.84953719e-06 -2.51126149e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10724510E+05 4.39767337e-05 -1.64056047e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.38631793E+04 2.38609817e-04 -8.79630091e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.15049752E+04 1.13196866e-03 -4.22190199e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.62371803E+03 4.71315860e-03 -1.75248668e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27180369E+03 1.72581999e-02 -6.51845449e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12328609E+03 5.35085353e-02 -2.05032091e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57764299E+02 1.35363240e-01 -5.39692476e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27551906E+02 2.52955247e-01 -1.06239705e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13384117E+02 3.02004130e-01 -1.32192164e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.65772154E+01 1.81861237e-01 -2.20954869e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.31824545E+01 3.41342209e-02 2.49167027e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.14884972E+01 9.71992874e-05 3.99628438e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.67404844E+00 1.93927136e-04 2.51767425e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.28489897E+00 -7.34093006e-05 4.30886710e-02 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.11006157E+00 2.73527428e-05 -1.16977520e-03 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.41615370E-01 -8.01129753e-06 3.74670712e-04 0.00000000e+00 0.00000000e+00 1.00000000e+00
Mn D
0.35848985E+07 -8.07777428e-12 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.52158600E+06 1.90653247e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.11723769E+06 -1.12775768e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.32994698E+05 1.67244053e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.10724510E+05 2.58960018e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.38631793E+04 9.07080313e-07 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.15049752E+04 4.46350822e-06 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.62371803E+03 3.77053762e-05 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27180369E+03 1.91754552e-04 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.12328609E+03 1.02596294e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.57764299E+02 4.23919500e-03 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.27551906E+02 1.56355221e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.13384117E+02 4.44615326e-02 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.65772154E+01 1.04620236e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.31824545E+01 1.84086752e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.14884972E+01 2.29366586e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.67404844E+00 2.18126439e-01 1.00000000e+00 0.00000000e+00 0.00000000e+00
0.28489897E+00 1.60262042e-01 0.00000000e+00 1.00000000e+00 0.00000000e+00
0.11006157E+00 6.32501624e-02 0.00000000e+00 0.00000000e+00 1.00000000e+00