G3Xlarge basis
This file contains the G3XLarge basis set used in the HF calculations
in G3X theory.
-H 0
S 3 1.00
0.3386500000D+02 0.2549380000D-01
0.5094790000D+01 0.1903730000D+00
0.1158790000D+01 0.8521610000D+00
S 1 1.00
0.3258400000D+00 0.1000000000D+01
S 1 1.00
0.1027410000D+00 0.1000000000D+01
S 1 1.00
0.3600000000D-01 0.1000000000D+01
P 1 1.00
0.1500000000D+01 0.1000000000D+01
P 1 1.00
0.3750000000D+00 0.1000000000D+01
****
-He 0
S 3 1.00
0.9812430000D+02 0.2874520000D-01
0.1476890000D+02 0.2080610000D+00
0.3318830000D+01 0.8376350000D+00
S 1 1.00
0.8740470000D+00 0.1000000000D+01
S 1 1.00
0.2445640000D+00 0.1000000000D+01
S 1 1.00
0.8600000000D-01 0.1000000000D+01
P 1 1.00
0.1500000000D+01 0.1000000000D+01
P 1 1.00
0.3750000000D+00 0.1000000000D+01
****
-Li 0
S 6 1.00
0.9004600000D+03 0.2287040000D-02
0.1344330000D+03 0.1763500000D-01
0.3043650000D+02 0.8734340000D-01
0.8626390000D+01 0.2809770000D+00
0.2483320000D+01 0.6587410000D+00
0.3031790000D+00 0.1187120000D+00
SP 3 1.00
0.4868900000D+01 0.9332930000D-01 0.3276610000D-01
0.8569240000D+00 0.9430450000D+00 0.1597920000D+00
0.2432270000D+00 -0.2798270000D-02 0.8856670000D+00
SP 1 1.00
0.6350700000D-01 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.2436830000D-01 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.7400000000D-02 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.4000000000D+00 0.1000000000D+01
D 1 1.00
0.1000000000D+00 0.1000000000D+01
F 1 1.00
0.1500000000D+00 0.1000000000D+01
P 1 1.00
0.04000000000000D+02 0.1000000000D+01
D 1 1.00
0.07000000000000D+02 0.1000000000D+01
****
-Be 0
S 6 1.00
0.1682800000D+04 0.2285740000D-02
0.2517150000D+03 0.1759380000D-01
0.5741160000D+02 0.8633150000D-01
0.1651710000D+02 0.2818350000D+00
0.4853640000D+01 0.6405940000D+00
0.6268630000D+00 0.1444670000D+00
SP 3 1.00
0.8309380000D+01 0.1086210000D+00 0.3613440000D-01
0.1740750000D+01 0.9273010000D+00 0.2169580000D+00
0.4858160000D+00 -0.2971690000D-02 0.8418390000D+00
SP 1 1.00
0.1636130000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.5672850000D-01 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.2070000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.5100000000D+00 0.1000000000D+01
D 1 1.00
0.1275000000D+00 0.1000000000D+01
F 1 1.00
0.2600000000D+00 0.1000000000D+01
P 1 1.00
0.07000000000000D+02 0.1000000000D+01
D 1 1.00
0.09000000000000D+02 0.1000000000D+01
****
-B 0
S 6 1.00
0.2858890000D+04 0.2153750000D-02
0.4281400000D+03 0.1658230000D-01
0.9752820000D+02 0.8218700000D-01
0.2796930000D+02 0.2766180000D+00
0.8215770000D+01 0.6293160000D+00
0.1112780000D+01 0.1737700000D+00
SP 3 1.00
0.1324150000D+02 0.1174430000D+00 0.4181000000D-01
0.3001660000D+01 0.9180020000D+00 0.2365750000D+00
0.9128560000D+00 -0.2651050000D-02 0.8162140000D+00
SP 1 1.00
0.3154540000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.9885630000D-01 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.3150000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.8020000000D+00 0.1000000000D+01
D 1 1.00
0.2005000000D+00 0.1000000000D+01
F 1 1.00
0.5000000000D+00 0.1000000000D+01
P 1 1.00
0.11000000000000D+02 0.1000000000D+01
D 1 1.00
0.13000000000000D+02 0.1000000000D+01
****
-C 0
S 6 1.00
0.4563240000D+04 0.1966650000D-02
0.6820240000D+03 0.1523060000D-01
0.1549730000D+03 0.7612690000D-01
0.4445530000D+02 0.2608010000D+00
0.1302900000D+02 0.6164620000D+00
0.1827730000D+01 0.2210060000D+00
SP 3 1.00
0.2096420000D+02 0.1146600000D+00 0.4024870000D-01
0.4803310000D+01 0.9199990000D+00 0.2375940000D+00
0.1459330000D+01 -0.3030680000D-02 0.8158540000D+00
SP 1 1.00
0.4834560000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.1455850000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.4380000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.1252000000D+01 0.1000000000D+01
D 1 1.00
0.3130000000D+00 0.1000000000D+01
F 1 1.00
0.8000000000D+00 0.1000000000D+01
P 1 1.00
0.16000000000000D+02 0.1000000000D+01
D 1 1.00
0.15000000000000D+02 0.1000000000D+01
****
-N 0
S 6 1.00
0.6293480000D+04 0.1969790000D-02
0.9490440000D+03 0.1496130000D-01
0.2187760000D+03 0.7350060000D-01
0.6369160000D+02 0.2489370000D+00
0.1882820000D+02 0.6024600000D+00
0.2720230000D+01 0.2562020000D+00
SP 3 1.00
0.3063310000D+02 0.1119060000D+00 0.3831190000D-01
0.7026140000D+01 0.9216660000D+00 0.2374030000D+00
0.2112050000D+01 -0.2569190000D-02 0.8175920000D+00
SP 1 1.00
0.6840090000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.2008780000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.6390000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.1826000000D+01 0.1000000000D+01
D 1 1.00
0.4565000000D+00 0.1000000000D+01
F 1 1.00
0.1000000000D+01 0.1000000000D+01
P 1 1.00
0.22000000000000D+02 0.1000000000D+01
D 1 1.00
0.15000000000000D+02 0.1000000000D+01
****
-O 0
S 6 1.00
0.8588500000D+04 0.1895150000D-02
0.1297230000D+04 0.1438590000D-01
0.2992960000D+03 0.7073200000D-01
0.8737710000D+02 0.2400010000D+00
0.2567890000D+02 0.5947970000D+00
0.3740040000D+01 0.2808020000D+00
SP 3 1.00
0.4211750000D+02 0.1138890000D+00 0.3651140000D-01
0.9628370000D+01 0.9208110000D+00 0.2371530000D+00
0.2853320000D+01 -0.3274470000D-02 0.8197020000D+00
SP 1 1.00
0.9056610000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.2556110000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.8450000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.2584000000D+01 0.1000000000D+01
D 1 1.00
0.6460000000D+00 0.1000000000D+01
F 1 1.00
0.1400000000D+01 0.1000000000D+01
P 1 1.00
0.27000000000000D+02 0.1000000000D+01
D 1 1.00
0.16000000000000D+02 0.1000000000D+01
****
-F 0
S 6 1.00
0.1142710000D+05 0.1800930000D-02
0.1722350000D+04 0.1374190000D-01
0.3957460000D+03 0.6813340000D-01
0.1151390000D+03 0.2333250000D+00
0.3360260000D+02 0.5890860000D+00
0.4919010000D+01 0.2995050000D+00
SP 3 1.00
0.5544410000D+02 0.1145360000D+00 0.3546090000D-01
0.1263230000D+02 0.9205120000D+00 0.2374510000D+00
0.3717560000D+01 -0.3378040000D-02 0.8204580000D+00
SP 1 1.00
0.1165450000D+01 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.3218920000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.1076000000D+00 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.3500000000D+01 0.1000000000D+01
D 1 1.00
0.8750000000D+00 0.1000000000D+01
F 1 1.00
0.1850000000D+01 0.1000000000D+01
P 1 1.00
0.33000000000000D+02 0.1000000000D+01
D 1 1.00
0.18000000000000D+02 0.1000000000D+01
****
-Ne 0
S 6 1.00
0.1399570000D+05 0.1832760000D-02
0.2117100000D+04 0.1388270000D-01
0.4904250000D+03 0.6806870000D-01
0.1438330000D+03 0.2313280000D+00
0.4192650000D+02 0.5858900000D+00
0.6156840000D+01 0.3058830000D+00
SP 3 1.00
0.6912110000D+02 0.1191490000D+00 0.3565740000D-01
0.1583500000D+02 0.9173750000D+00 0.2394770000D+00
0.4673260000D+01 -0.4058390000D-02 0.8184610000D+00
SP 1 1.00
0.1457560000D+01 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.3970570000D+00 0.1000000000D+01 0.1000000000D+01
SP 1 1.00
0.1300000000D+00 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.4608000000D+01 0.1000000000D+01
D 1 1.00
0.1152000000D+01 0.1000000000D+01
F 1 1.00
0.2500000000D+01 0.1000000000D+01
P 1 1.00
0.40000000000000D+02 0.1000000000D+01
D 1 1.00
0.22000000000000D+02 0.1000000000D+01
****
-Na 0
S 6 1.00
0.3616640000D+05 0.1032000000D-02
0.5372580000D+04 0.8071000000D-02
0.1213210000D+04 0.4212900000D-01
0.3396230000D+03 0.1697890000D+00
0.1095530000D+03 0.5146210000D+00
0.3877730000D+02 0.3798170000D+00
S 3 1.00
0.3877730000D+02 0.3747620000D+00
0.1457590000D+02 0.5757690000D+00
0.5269930000D+01 0.1129330000D+00
S 1 1.00
0.1827770000D+01 0.1000000000D+01
S 1 1.00
0.6199480000D+00 0.1000000000D+01
S 1 1.00
0.5724000000D-01 0.1000000000D+01
S 1 1.00
0.2404800000D-01 0.1000000000D+01
P 4 1.00
0.1446450000D+03 0.1148500000D-01
0.3390740000D+02 0.8238300000D-01
0.1062850000D+02 0.3196580000D+00
0.3823890000D+01 0.7012950000D+00
P 2 1.00
0.1444290000D+01 0.6385060000D+00
0.5526210000D+00 0.4253650000D+00
P 1 1.00
0.1887200000D+00 0.1000000000D+01
P 1 1.00
0.4650100000D-01 0.1000000000D+01
P 1 1.00
0.1628500000D-01 0.1000000000D+01
SP 1 1.00
0.7600000000D-02 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.7000000000D+00 0.1000000000D+01
D 1 1.00
0.1750000000D+00 0.1000000000D+01
D 1 1.00
0.4375000000D-01 0.1000000000D+01
F 1 1.00
0.3000000000D+00 0.1000000000D+01
F 1 1.00
0.7500000000D-01 0.1000000000D+01
D 1 1.00
0.04000000000000D+02 0.1000000000D+01
F 1 1.00
0.04000000000000D+02 0.1000000000D+01
****
-Mg 0
S 6 1.00
0.4386650000D+05 0.9180000000D-03
0.6605370000D+04 0.7047000000D-02
0.1513260000D+04 0.3594100000D-01
0.4323170000D+03 0.1414610000D+00
0.1421490000D+03 0.4267640000D+00
0.5139830000D+02 0.4979750000D+00
S 3 1.00
0.5139830000D+02 0.2513550000D+00
0.1991960000D+02 0.6186710000D+00
0.8024740000D+01 0.1884170000D+00
S 1 1.00
0.2508170000D+01 0.1000000000D+01
S 1 1.00
0.8715310000D+00 0.1000000000D+01
S 1 1.00
0.1081880000D+00 0.1000000000D+01
S 1 1.00
0.4013000000D-01 0.1000000000D+01
P 4 1.00
0.1938540000D+03 0.1018800000D-01
0.4544200000D+02 0.7536000000D-01
0.1418640000D+02 0.3074190000D+00
0.5057510000D+01 0.7175750000D+00
P 2 1.00
0.1888610000D+01 0.6673390000D+00
0.7226520000D+00 0.3946490000D+00
P 1 1.00
0.2364170000D+00 0.1000000000D+01
P 1 1.00
0.9335800000D-01 0.1000000000D+01
P 1 1.00
0.3480900000D-01 0.1000000000D+01
SP 1 1.00
0.1460000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.7000000000D+00 0.1000000000D+01
D 1 1.00
0.1750000000D+00 0.1000000000D+01
D 1 1.00
0.4375000000D-01 0.1000000000D+01
F 1 1.00
0.4000000000D+00 0.1000000000D+01
F 1 1.00
0.1000000000D+00 0.1000000000D+01
D 1 1.00
0.04000000000000D+02 0.1000000000D+01
F 1 1.00
0.05000000000000D+02 0.1000000000D+01
****
-Al 0
S 6 1.00
0.5486648900D+05 0.8390000000D-03
0.8211766500D+04 0.6527000000D-02
0.1866176100D+04 0.3366600000D-01
0.5311293400D+03 0.1329020000D+00
0.1751179700D+03 0.4012660000D+00
0.6400550000D+02 0.5313380000D+00
S 3 1.00
0.6400550000D+02 0.2023050000D+00
0.2529250700D+02 0.6247900000D+00
0.1053491000D+02 0.2274390000D+00
S 1 1.00
0.3206711000D+01 0.1000000000D+01
S 1 1.00
0.1152555000D+01 0.1000000000D+01
S 1 1.00
0.1766780000D+00 0.1000000000D+01
S 1 1.00
0.6523700000D-01 0.1000000000D+01
P 4 1.00
0.2592836200D+03 0.9448000000D-02
0.6107687000D+02 0.7097400000D-01
0.1930323700D+02 0.2956360000D+00
0.7010882000D+01 0.7282190000D+00
P 2 1.00
0.2673865000D+01 0.6444670000D+00
0.1036596000D+01 0.4174130000D+00
P 1 1.00
0.3168190000D+00 0.1000000000D+01
P 1 1.00
0.1142570000D+00 0.1000000000D+01
P 1 1.00
0.4139700000D-01 0.1000000000D+01
SP 1 1.00
0.3180000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.1300000000D+01 0.1000000000D+01
D 1 1.00
0.3250000000D+00 0.1000000000D+01
D 1 1.00
0.8125000000D-01 0.1000000000D+01
F 1 1.00
0.5000000000D+00 0.1000000000D+01
F 1 1.00
0.1250000000D+00 0.1000000000D+01
D 1 1.00
0.06000000000000D+02 0.1000000000D+01
F 1 1.00
0.06000000000000D+02 0.1000000000D+01
G 1 1.00
0.3570000000D+00 0.1000000000D+01
****
-Si 0
S 6 1.00
0.6937923000D+05 0.7570000000D-03
0.1035494000D+05 0.5932000000D-02
0.2333879600D+04 0.3108800000D-01
0.6571429500D+03 0.1249670000D+00
0.2143011300D+03 0.3868970000D+00
0.7762916800D+02 0.5548880000D+00
S 3 1.00
0.7762916800D+02 0.1778810000D+00
0.3063080700D+02 0.6277650000D+00
0.1280129500D+02 0.2476230000D+00
S 1 1.00
0.3926866000D+01 0.1000000000D+01
S 1 1.00
0.1452343000D+01 0.1000000000D+01
S 1 1.00
0.2562340000D+00 0.1000000000D+01
S 1 1.00
0.9427900000D-01 0.1000000000D+01
P 4 1.00
0.3354831900D+03 0.8866000000D-02
0.7890036600D+02 0.6829900000D-01
0.2498815000D+02 0.2909580000D+00
0.9219711000D+01 0.7321170000D+00
P 2 1.00
0.3621140000D+01 0.6198790000D+00
0.1451310000D+01 0.4391480000D+00
P 1 1.00
0.5049770000D+00 0.1000000000D+01
P 1 1.00
0.1863170000D+00 0.1000000000D+01
P 1 1.00
0.6543200000D-01 0.1000000000D+01
SP 1 1.00
0.3310000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.1800000000D+01 0.1000000000D+01
D 1 1.00
0.4500000000D+00 0.1000000000D+01
D 1 1.00
0.1125000000D+00 0.1000000000D+01
F 1 1.00
0.6400000000D+00 0.1000000000D+01
F 1 1.00
0.1600000000D+00 0.1000000000D+01
D 1 1.00
0.08000000000000D+02 0.1000000000D+01
F 1 1.00
0.07000000000000D+02 0.1000000000D+01
G 1 1.00
0.4610000000D+00 0.1000000000D+01
****
-p
S 6 1.00
77492.400000 7.869212E-04
11605.800000 6.108245E-03
2645.960000 3.139689E-02
754.976000 1.242379E-01
248.755000 3.811538E-01
91.156500 5.595372E-01
S 3 1.00
91.156500 1.641617E-01
36.225700 6.259097E-01
15.211300 2.620744E-01
S 1 1.00
4.713800 1.000000E+00
S 1 1.00
1.782700 1.000000E+00
S 1 1.00
0.342500 1.000000E+00
S 1 1.00
0.124600 1.000000E+00
P 4 1.00
384.840000 8.967875E-03
90.552000 6.904902E-02
28.806000 2.928770E-01
10.688000 7.292494E-01
P 2 1.00
4.252100 6.325822E-01
1.740500 4.232996E-01
P 1 1.00
0.597900 1.000000E+00
P 1 1.00
0.229200 1.000000E+00
P 1 1.00
0.083800 1.000000E+00
SP 1 1.00
.3480000000D-01 .1000000000D+01 .1000000000D+01
D 1 1.00
.2200000000D+01 .1000000000D+01
D 1 1.00
.5500000000D+00 .1000000000D+01
D 1 1.00
.1375000000D+00 .1000000000D+01
F 1 1.00
.9000000000D+00 .1000000000D+01
F 1 1.00
.2250000000D+00 .1000000000D+01
D 1 1.00
0.10000000000000D+02 0.1000000000D+01
F 1 1.00
0.09000000000000D+02 0.1000000000D+01
G 1 1.00
0.5970000000D+00 0.1000000000D+01
****
-s
S 6 1.00
93413.400000 7.420791E-04
13961.700000 5.787658E-03
3169.910000 2.994067E-02
902.456000 1.189282E-01
297.158000 3.681822E-01
108.702000 5.776336E-01
S 3 1.00
108.702000 1.427905E-01
43.155300 6.246934E-01
18.107900 2.834835E-01
S 1 1.00
5.570500 1.000000E+00
S 1 1.00
2.142700 1.000000E+00
S 1 1.00
0.434000 1.000000E+00
S 1 1.00
0.157000 1.000000E+00
P 4 1.00
495.040000 8.196253E-03
117.220000 6.364204E-02
37.507000 2.788060E-01
13.910000 7.447404E-01
P 2 1.00
5.504500 6.168248E-01
2.243300 4.402946E-01
P 1 1.00
0.776200 1.000000E+00
P 1 1.00
0.291900 1.000000E+00
P 1 1.00
0.102900 1.000000E+00
SP 1 1.00
.4050000000D-01 .1000000000D+01 .1000000000D+01
D 1 1.00
.2600000000D+01 .1000000000D+01
D 1 1.00
.6500000000D+00 .1000000000D+01
D 1 1.00
.1625000000D+00 .1000000000D+01
F 1 1.00
.1100000000D+01 .1000000000D+01
F 1 1.00
.2750000000D+00 .1000000000D+01
D 1 1.00
0.11000000000000D+02 0.1000000000D+01
F 1 1.00
0.10000000000000D+02 0.1000000000D+01
G 1 1.00
0.6830000000D+00 0.1000000000D+01
****
-cl
S 6 1.00
105819.000000 7.423627E-04
15872.000000 5.747318E-03
3619.650000 2.964876E-02
1030.800000 1.178998E-01
339.908000 3.648532E-01
124.538000 5.816968E-01
S 3 1.00
124.538000 1.370443E-01
49.513500 6.231380E-01
20.805600 2.903279E-01
S 1 1.00
6.464800 .100000D+01
S 1 1.00
2.525400 .100000D+01
S 1 1.00
0.537800 .100000D+01
S 1 1.00
0.193500 .100000D+01
P 4 1.00
589.780000 7.873332E-03
139.850000 6.155460E-02
44.795000 2.742514E-01
16.612000 7.498994E-01
P 2 1.00
6.599500 6.147640E-01
2.714100 4.413416E-01
P 1 1.00
0.952800 .100000D+01
P 1 1.00
0.358000 .100000D+01
P 1 1.00
0.125000 .100000D+01
SP 1 1.00
.4830000000D-01 .1000000000D+01 .1000000000D+01
D 1 1.00
.3000000000D+01 .1000000000D+01
D 1 1.00
.7500000000D+00 .1000000000D+01
D 1 1.00
.1875000000D+00 .1000000000D+01
F 1 1.00
.1400000000D+01 .1000000000D+01
F 1 1.00
.3500000000D+00 .1000000000D+01
D 1 1.00
0.13000000000000D+02 0.1000000000D+01
F 1 1.00
0.12000000000000D+02 0.1000000000D+01
G 1 1.00
0.8270000000D+00 0.1000000000D+01
****
-ar
S 6 1.00
118022.000000 7.461902E-04
17683.500000 5.786362E-03
4027.770000 2.990098E-02
1145.400000 1.191287E-01
377.164000 3.687839E-01
138.160000 5.767726E-01
S 3 1.00
138.160000 1.435931E-01
54.989100 6.231142E-01
23.170700 2.840810E-01
S 1 1.00
7.377860 1.000000E+00
S 1 1.00
2.923690 1.000000E+00
S 1 1.00
0.650405 1.000000E+00
S 1 1.00
0.232825 1.000000E+00
P 4 1.00
663.062000 7.820021E-03
157.093000 6.148333E-02
50.231100 2.754731E-01
18.635300 7.488402E-01
P 2 1.00
7.446540 -6.282210E-01
3.095700 -4.260202E-01
P 1 1.00
1.106460 1.000000E+00
P 1 1.00
0.415601 1.000000E+00
P 1 1.00
0.145449 1.000000E+00
SP 1 1.00
0.6000000000D-01 0.1000000000D+01 0.1000000000D+01
D 1 1.00
0.3400000000D+01 0.1000000000D+01
D 1 1.00
0.8500000000D+00 0.1000000000D+01
D 1 1.00
0.2125000000D+00 0.1000000000D+01
F 1 1.00
0.1700000000D+01 0.1000000000D+01
F 1 1.00
0.4250000000D+00 0.1000000000D+01
D 1 1.00
0.15000000000000D+02 0.1000000000D+01
F 1 1.00
0.14000000000000D+02 0.1000000000D+01
G 1 1.00
0.1007000000D+01 0.1000000000D+01
****