819
820
neon: "cc-pV5Z": [
820
821
(type: [am = s am = s]
821
822
{exp coef:0 coef:1} = {
822
262700.00000000 0.0000260 -0.0000060
823
39350.00000000 0.0002000 -0.0000470
824
8955.00000000 0.0010500 -0.0002470
825
2538.00000000 0.0044000 -0.0010380
826
829.90000000 0.0156490 -0.0037110
827
301.50000000 0.0477580 -0.0115930
828
119.00000000 0.1229430 -0.0310860
829
50.00000000 0.2524830 -0.0709720
830
21.98000000 0.3663140 -0.1272660
831
9.89100000 0.2796170 -0.1512310
851
299.10000000 0.0010380
852
70.73000000 0.0083750
853
22.48000000 0.0396930
872
(type: [(am = d puream = 1)]
876
(type: [(am = d puream = 1)]
880
(type: [(am = d puream = 1)]
884
(type: [(am = d puream = 1)]
888
(type: [(am = f puream = 1)]
892
(type: [(am = f puream = 1)]
896
(type: [(am = f puream = 1)]
900
(type: [(am = g puream = 1)]
904
(type: [(am = g puream = 1)]
908
(type: [(am = h puream = 1)]
823
262700.00000 0.26000000000E-04 -0.60000000000E-05
824
39350.000000 0.20000000000E-03 -0.47000000000E-04
825
8955.0000000 0.10500000000E-02 -0.24700000000E-03
826
2538.0000000 0.44000000000E-02 -0.10380000000E-02
827
829.90000000 0.15649000000E-01 -0.37110000000E-02
828
301.50000000 0.47758000000E-01 -0.11593000000E-01
829
119.00000000 0.12294300000 -0.31086000000E-01
830
50.000000000 0.25248300000 -0.70972000000E-01
831
21.980000000 0.36631400000 -0.12726600000
832
9.8910000000 0.27961700000 -0.15123100000
836
4.3270000000 1.0000000000
840
1.8040000000 1.0000000000
844
0.72880000000 1.0000000000
848
0.28670000000 1.0000000000
852
299.10000000 0.10380000000E-02
853
70.730000000 0.83750000000E-02
854
22.480000000 0.39693000000E-01
855
8.2460000000 0.12805600000
859
3.2690000000 1.0000000000
863
1.3150000000 1.0000000000
867
0.51580000000 1.0000000000
871
0.19180000000 1.0000000000
873
(type: [(am = d puream = 1)]
875
9.8370000000 1.0000000000
877
(type: [(am = d puream = 1)]
879
3.8440000000 1.0000000000
881
(type: [(am = d puream = 1)]
883
1.5020000000 1.0000000000
885
(type: [(am = d puream = 1)]
887
0.58700000000 1.0000000000
889
(type: [(am = f puream = 1)]
891
7.0900000000 1.0000000000
893
(type: [(am = f puream = 1)]
895
2.7380000000 1.0000000000
897
(type: [(am = f puream = 1)]
899
1.0570000000 1.0000000000
901
(type: [(am = g puream = 1)]
903
5.4600000000 1.0000000000
905
(type: [(am = g puream = 1)]
907
1.8800000000 1.0000000000
909
(type: [(am = h puream = 1)]
911
3.7760000000 1.0000000000
915
% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
917
(type: [am = s am = s am = s]
918
{exp coef:0 coef:1 coef:2} = {
919
1224000.0000 0.50000000000E-05 -0.10000000000E-05 0.
920
183200.00000 0.37000000000E-04 -0.90000000000E-05 0.10000000000E-05
921
41700.000000 0.19600000000E-03 -0.48000000000E-04 0.70000000000E-05
922
11810.000000 0.82700000000E-03 -0.20200000000E-03 0.30000000000E-04
923
3853.0000000 0.30030000000E-02 -0.73600000000E-03 0.11100000000E-03
924
1391.0000000 0.97030000000E-02 -0.23870000000E-02 0.35900000000E-03
925
542.50000000 0.28234000000E-01 -0.70500000000E-02 0.10630000000E-02
926
224.90000000 0.73206000000E-01 -0.18786000000E-01 0.28270000000E-02
927
97.930000000 0.16289700000 -0.44615000000E-01 0.67670000000E-02
928
44.310000000 0.28870800000 -0.89774000000E-01 0.13648000000E-01
929
20.650000000 0.34682900000 -0.14294000000 0.22281000000E-01
930
9.7290000000 0.20686500000 -0.12431500000 0.19601000000E-01
931
4.2280000000 0.32801000000E-01 0.99965000000E-01 -0.16771000000E-01
932
1.9690000000 -0.64800000000E-03 0.41708000000 -0.77373000000E-01
933
0.88900000000 0.14590000000E-02 0.47512300000 -0.11350100000
937
0.39640000000 1.0000000000
941
0.69930000000E-01 1.0000000000
945
0.32890000000E-01 1.0000000000
949
0.16120000000E-01 1.0000000000
951
(type: [am = p am = p]
952
{exp coef:0 coef:1} = {
953
413.40000000 0.90800000000E-03 -0.90000000000E-04
954
97.980000000 0.74180000000E-02 -0.73900000000E-03
955
31.370000000 0.35746000000E-01 -0.35730000000E-02
956
11.620000000 0.11852000000 -0.12014000000E-01
957
4.6710000000 0.26140300000 -0.26718000000E-01
958
1.9180000000 0.37839500000 -0.39275000000E-01
959
0.77750000000 0.33463200000 -0.37608000000E-01
960
0.30130000000 0.12684400000 -0.43323000000E-01
964
0.22750000000 1.0000000000
968
0.75270000000E-01 1.0000000000
972
0.31260000000E-01 1.0000000000
976
0.13420000000E-01 1.0000000000
978
(type: [(am = d puream = 1)]
980
0.27340000000 1.0000000000
982
(type: [(am = d puream = 1)]
984
0.15380000000 1.0000000000
986
(type: [(am = d puream = 1)]
988
0.86500000000E-01 1.0000000000
990
(type: [(am = d puream = 1)]
992
0.48700000000E-01 1.0000000000
994
(type: [(am = f puream = 1)]
996
0.40000000000 1.0000000000
998
(type: [(am = f puream = 1)]
1000
0.19120000000 1.0000000000
1002
(type: [(am = f puream = 1)]
1004
0.10360000000 1.0000000000
1006
(type: [(am = g puream = 1)]
1008
0.42500000000 1.0000000000
1010
(type: [(am = g puream = 1)]
1012
0.17220000000 1.0000000000
1014
(type: [(am = h puream = 1)]
1016
0.20000000000 1.0000000000
1020
% BASIS SET: (20s,14p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1021
magnesium: "cc-pV5Z": [
1022
(type: [am = s am = s am = s]
1023
{exp coef:0 coef:1 coef:2} = {
1024
2968000.0000 0.19717700000E-05 -0.49816000000E-06 0.96017500000E-07
1025
444300.00000 0.15336200000E-04 -0.38756300000E-05 0.74616400000E-06
1026
101100.00000 0.80685200000E-04 -0.20385400000E-04 0.39311900000E-05
1027
28640.000000 0.34077100000E-03 -0.86165900000E-04 0.16581200000E-04
1028
9343.0000000 0.12419400000E-02 -0.31417600000E-03 0.60625700000E-04
1029
3373.0000000 0.40412400000E-02 -0.10257700000E-02 0.19732200000E-03
1030
1316.0000000 0.11979700000E-01 -0.30581600000E-02 0.59088100000E-03
1031
545.80000000 0.32425300000E-01 -0.84106300000E-02 0.16190400000E-02
1032
238.10000000 0.78933200000E-01 -0.21120200000E-01 0.40975600000E-02
1033
108.20000000 0.16657500000 -0.47688200000E-01 0.92298900000E-02
1034
50.800000000 0.28287100000 -0.92411900000E-01 0.18216800000E-01
1035
24.480000000 0.33189000000 -0.14254800000 0.28288400000E-01
1036
11.930000000 0.20328700000 -0.12616800000 0.26505900000E-01
1037
5.5430000000 0.38289700000E-01 0.71528200000E-01 -0.17205300000E-01
1038
2.6750000000 0.30891600000E-03 0.38303900000 -0.88591700000E-01
1039
1.2630000000 0.13890700000E-02 0.49013300000 -0.16387100000
1043
0.58830000000 1.0000000000
1047
0.14960000000 1.0000000000
1051
0.67000000000E-01 1.0000000000
1055
0.29520000000E-01 1.0000000000
1057
(type: [am = p am = p]
1058
{exp coef:0 coef:1} = {
1059
1441.0000000 0.15240700000E-03 -0.24103100000E-04
1060
341.40000000 0.13276400000E-02 -0.21080900000E-03
1061
110.70000000 0.72193700000E-02 -0.11453000000E-02
1062
41.970000000 0.28520500000E-01 -0.45641700000E-02
1063
17.490000000 0.86534600000E-01 -0.13960300000E-01
1064
7.7530000000 0.19495000000 -0.32110500000E-01
1065
3.5340000000 0.31205100000 -0.51621700000E-01
1066
1.6140000000 0.34847600000 -0.61371300000E-01
1067
0.72990000000 0.21888600000 -0.44246500000E-01
1068
0.30290000000 0.43557900000E-01 0.52319100000E-01
1072
0.15830000000 1.0000000000
1076
0.81900000000E-01 1.0000000000
1080
0.41230000000E-01 1.0000000000
1084
0.19880000000E-01 1.0000000000
1086
(type: [(am = d puream = 1)]
1088
0.11000000000 1.0000000000
1090
(type: [(am = d puream = 1)]
1092
0.24200000000 1.0000000000
1094
(type: [(am = d puream = 1)]
1096
0.53200000000 1.0000000000
1098
(type: [(am = d puream = 1)]
1100
1.1710000000 1.0000000000
1102
(type: [(am = f puream = 1)]
1104
0.15500000000 1.0000000000
1106
(type: [(am = f puream = 1)]
1108
0.26400000000 1.0000000000
1110
(type: [(am = f puream = 1)]
1112
0.44800000000 1.0000000000
1114
(type: [(am = g puream = 1)]
1116
0.24000000000 1.0000000000
1118
(type: [(am = g puream = 1)]
1120
0.44400000000 1.0000000000
1122
(type: [(am = h puream = 1)]
1124
0.37500000000 1.0000000000
1445
1659
argon: "cc-pV5Z": [
1446
1660
(type: [am = s am = s am = s]
1447
1661
{exp coef:0 coef:1 coef:2} = {
1448
7401000.00000000 0.0000018 -0.0000005 0.0000000
1449
1108000.00000000 0.0000136 -0.0000040 0.0000000
1450
252100.00000000 0.0000716 -0.0000213 0.0000001
1451
71380.00000000 0.0003030 -0.0000902 0.0000004
1452
23260.00000000 0.0011061 -0.0003294 0.0000015
1453
8390.00000000 0.0036068 -0.0010772 0.0000046
1454
3271.00000000 0.0107134 -0.0032189 0.0000155
1455
1357.00000000 0.0291074 -0.0088785 0.0000407
1456
592.00000000 0.0716617 -0.0225545 0.0001313
1457
269.10000000 0.1541440 -0.0518453 0.0003327
1458
126.50000000 0.2704230 -0.1037220 0.0010667
1459
61.03000000 0.3348620 -0.1665950 0.0025721
1460
29.86000000 0.2243470 -0.1601650 0.0048358
1461
14.17000000 0.0500081 0.0623654 -0.0038573
1462
7.02200000 0.0001497 0.4655340 -0.0476125
1463
3.51100000 0.0021037 0.5815640 -0.1829570
1467
1.75800000 1.0000000
1471
0.78410000 1.0000000
1475
0.34800000 1.0000000
1479
0.14910000 1.0000000
1662
7401000.0000 0.17500000000E-05 -0.50000000000E-06 0.16000000000E-06
1663
1108000.0000 0.13610000000E-04 -0.38700000000E-05 0.12100000000E-05
1664
252100.00000 0.71630000000E-04 -0.20340000000E-04 0.63600000000E-05
1665
71380.000000 0.30303000000E-03 -0.86090000000E-04 0.26890000000E-04
1666
23260.000000 0.11060800000E-02 -0.31444000000E-03 0.98340000000E-04
1667
8390.0000000 0.36067100000E-02 -0.10284100000E-02 0.32129000000E-03
1668
3271.0000000 0.10713210000E-01 -0.30726700000E-02 0.96200000000E-03
1669
1357.0000000 0.29106770000E-01 -0.84753200000E-02 0.26524500000E-02
1670
592.00000000 0.71660110000E-01 -0.21520080000E-01 0.67703500000E-02
1671
269.10000000 0.15414053000 -0.49449320000E-01 0.15617270000E-01
1672
126.50000000 0.27041707000 -0.98775920000E-01 0.31716660000E-01
1673
61.030000000 0.33485470000 -0.15830822000 0.51997420000E-01
1674
29.860000000 0.22434631000 -0.15140298000 0.52475140000E-01
1675
14.170000000 0.50002840000E-01 0.58242640000E-01 -0.22641470000E-01
1676
7.0220000000 0.64590000000E-04 0.42938305000 -0.18606229000
1677
3.5110000000 0.16864100000E-02 0.49908884000 -0.35014547000
1681
1.7580000000 1.0000000000
1685
0.78410000000 1.0000000000
1689
0.34800000000 1.0000000000
1693
0.14910000000 1.0000000000
1481
1695
(type: [am = p am = p]
1482
1696
{exp coef:0 coef:1} = {
1483
2927.00000000 0.0001883 -0.0001502
1484
693.50000000 0.0016429 -0.0013093
1485
224.70000000 0.0089489 -0.0071650
1486
85.17000000 0.0355111 -0.0285723
1487
35.53000000 0.1051470 -0.0860158
1488
15.73000000 0.2215520 -0.1839960
1489
7.16500000 0.3084120 -0.2658440
1490
3.32200000 0.2322030 -0.1887410
1494
1.47800000 1.0000000
1498
0.65520000 1.0000000
1502
0.27510000 1.0000000
1506
0.10970000 1.0000000
1508
(type: [(am = d puream = 1)]
1510
0.30900000 1.0000000
1512
(type: [(am = d puream = 1)]
1514
0.77000000 1.0000000
1516
(type: [(am = d puream = 1)]
1518
1.91700000 1.0000000
1520
(type: [(am = d puream = 1)]
1522
4.77600000 1.0000000
1524
(type: [(am = f puream = 1)]
1526
0.40800000 1.0000000
1528
(type: [(am = f puream = 1)]
1530
0.82500000 1.0000000
1532
(type: [(am = f puream = 1)]
1534
1.66800000 1.0000000
1536
(type: [(am = g puream = 1)]
1538
0.66500000 1.0000000
1540
(type: [(am = g puream = 1)]
1542
1.56200000 1.0000000
1544
(type: [(am = h puream = 1)]
1546
1.26400000 1.0000000
1697
2927.0000000 0.23199000000E-03 -0.64910000000E-04
1698
693.50000000 0.20232900000E-02 -0.56531000000E-03
1699
224.70000000 0.11034010000E-01 -0.31098800000E-02
1700
85.170000000 0.43839700000E-01 -0.12469640000E-01
1701
35.530000000 0.13035904000 -0.38224650000E-01
1702
15.730000000 0.27574991000 -0.83079180000E-01
1703
7.1650000000 0.38764330000 -0.12459409000
1704
3.3220000000 0.28740741000 -0.83297130000E-01
1708
1.4780000000 1.0000000000
1712
0.65520000000 1.0000000000
1716
0.27510000000 1.0000000000
1720
0.10970000000 1.0000000000
1722
(type: [(am = d puream = 1)]
1724
0.30900000000 1.0000000000
1726
(type: [(am = d puream = 1)]
1728
0.77000000000 1.0000000000
1730
(type: [(am = d puream = 1)]
1732
1.9170000000 1.0000000000
1734
(type: [(am = d puream = 1)]
1736
4.7760000000 1.0000000000
1738
(type: [(am = f puream = 1)]
1740
0.40800000000 1.0000000000
1742
(type: [(am = f puream = 1)]
1744
0.82500000000 1.0000000000
1746
(type: [(am = f puream = 1)]
1748
1.6680000000 1.0000000000
1750
(type: [(am = g puream = 1)]
1752
0.66500000000 1.0000000000
1754
(type: [(am = g puream = 1)]
1756
1.5620000000 1.0000000000
1758
(type: [(am = h puream = 1)]
1760
1.2640000000 1.0000000000
1764
% BASIS SET: (26s,18p,8d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
1765
calcium: "cc-pV5Z": [
1766
(type: [am = s am = s am = s am = s]
1767
{exp coef:0 coef:1 coef:2 coef:3} = {
1768
28249600.000 0.43000000000E-06 -0.12000000000E-06 0.40000000000E-07 -0.10000000000E-07
1769
4250190.0000 0.32900000000E-05 -0.96000000000E-06 0.33000000000E-06 -0.80000000000E-07
1770
975014.00000 0.17140000000E-04 -0.49700000000E-05 0.17200000000E-05 -0.41000000000E-06
1771
277446.00000 0.72280000000E-04 -0.20990000000E-04 0.72400000000E-05 -0.17300000000E-05
1772
90454.700000 0.26522000000E-03 -0.77010000000E-04 0.26560000000E-04 -0.63400000000E-05
1773
32515.900000 0.87484000000E-03 -0.25431000000E-03 0.87720000000E-04 -0.20940000000E-04
1774
12610.600000 0.26499100000E-02 -0.77168000000E-03 0.26618000000E-03 -0.63560000000E-04
1775
5190.7700000 0.74844700000E-02 -0.21908300000E-02 0.75622000000E-03 -0.18056000000E-03
1776
2242.3300000 0.19730930000E-01 -0.58356700000E-02 0.20161800000E-02 -0.48155000000E-03
1777
1011.5300000 0.47797990000E-01 -0.14468690000E-01 0.50120300000E-02 -0.11972100000E-02
1778
475.54700000 0.10359562000 -0.32803840000E-01 0.11414850000E-01 -0.27288900000E-02
1779
232.07200000 0.19293018000 -0.66744350000E-01 0.23454260000E-01 -0.56118700000E-02
1780
116.87400000 0.28626757000 -0.11668667000 0.41737840000E-01 -0.10013050000E-01
1781
60.342700000 0.29278494000 -0.15919701000 0.58943050000E-01 -0.14190510000E-01
1782
31.524400000 0.16312798000 -0.11620650000 0.45034190000E-01 -0.10921700000E-01
1783
16.030800000 0.32216880000E-01 0.10547012000 -0.44376180000E-01 0.10863430000E-01
1784
8.4599200000 0.59258000000E-03 0.42483472000 -0.21875449000 0.55014930000E-01
1785
4.5271800000 0.10479000000E-02 0.45779736000 -0.36363043000 0.96882140000E-01
1786
2.4185900000 -0.38379000000E-03 0.16619966000 -0.15422068000 0.39479680000E-01
1787
1.2512900000 0.15772000000E-03 0.14623860000E-01 0.35238152000 -0.10866983000
1788
0.64343000000 -0.14357000000E-03 0.20465400000E-02 0.61412099000 -0.22728320000
1789
0.32918000000 0.57700000000E-04 0.19519000000E-03 0.30037275000 -0.25708490000
1793
0.14239000000 1.0000000000
1797
0.78190000000E-01 1.0000000000
1801
0.37630000000E-01 1.0000000000
1805
0.18290000000E-01 1.0000000000
1807
(type: [am = p am = p am = p]
1808
{exp coef:0 coef:1 coef:2} = {
1809
406353.00000 0.23000000000E-06 -0.70000000000E-07 0.20000000000E-07
1810
13600.700000 0.23930000000E-04 -0.77900000000E-05 0.16200000000E-05
1811
3235.4700000 0.21218000000E-03 -0.69080000000E-04 0.14390000000E-04
1812
1053.0500000 0.12273300000E-02 -0.40059000000E-03 0.83540000000E-04
1813
403.56900000 0.54527700000E-02 -0.17849000000E-02 0.37208000000E-03
1814
171.49000000 0.19626690000E-01 -0.64832000000E-02 0.13533300000E-02
1815
78.236300000 0.58279930000E-01 -0.19562440000E-01 0.40864200000E-02
1816
37.606500000 0.13955299000 -0.48247670000E-01 0.10110730000E-01
1817
18.709000000 0.25592562000 -0.91286110000E-01 0.19167250000E-01
1818
9.5004100000 0.33998132000 -0.12842086000 0.27161320000E-01
1819
4.9055700000 0.27304774000 -0.99522920000E-01 0.20807740000E-01
1820
2.5267000000 0.96441480000E-01 0.90123840000E-01 -0.23085150000E-01
1821
1.2713900000 0.95523100000E-02 0.35519880000 -0.85510940000E-01
1822
0.62601000000 0.67589000000E-03 0.44448891000 -0.11794499000
1826
0.30099000000 1.0000000000
1830
0.11769000000 1.0000000000
1834
0.51160000000E-01 1.0000000000
1838
0.21420000000E-01 1.0000000000
1840
(type: [(am = d puream = 1)]
1842
39.562800000 0.34460000000E-02
1843
11.437300000 0.21360000000E-01
1844
3.9674300000 0.75448000000E-01
1845
1.5247800000 0.17152800000
1847
(type: [(am = d puream = 1)]
1849
0.59047000000 1.0000000000
1851
(type: [(am = d puream = 1)]
1853
0.21914000000 1.0000000000
1855
(type: [(am = d puream = 1)]
1857
0.79570000000E-01 1.0000000000
1859
(type: [(am = d puream = 1)]
1861
0.28340000000E-01 1.0000000000
1863
(type: [(am = f puream = 1)]
1865
0.86000000000E-01 1.0000000000
1867
(type: [(am = f puream = 1)]
1869
0.25800000000 1.0000000000
1871
(type: [(am = f puream = 1)]
1873
0.77410000000 1.0000000000
1875
(type: [(am = g puream = 1)]
1877
0.10120000000 1.0000000000
1879
(type: [(am = g puream = 1)]
1881
0.30230000000 1.0000000000
1883
(type: [(am = h puream = 1)]
1885
0.25340000000 1.0000000000
1889
% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
1890
gallium: "cc-pV5Z": [
1891
(type: [am = s am = s am = s am = s]
1892
{exp coef:0 coef:1 coef:2 coef:3} = {
1893
108615220.00 0.24000000000E-06 -0.70000000000E-07 0.30000000000E-07 -0.70000000000E-08
1894
16264540.000 0.18600000000E-05 -0.58000000000E-06 0.22000000000E-06 -0.51000000000E-07
1895
3700111.6000 0.98000000000E-05 -0.30300000000E-05 0.11600000000E-05 -0.27000000000E-06
1896
1047169.1000 0.41520000000E-04 -0.12870000000E-04 0.49100000000E-05 -0.11420000000E-05
1897
341067.57000 0.15205000000E-03 -0.47140000000E-04 0.17980000000E-04 -0.41830000000E-05
1898
122771.54000 0.50077000000E-03 -0.15530000000E-03 0.59200000000E-04 -0.13781000000E-04
1899
47659.578000 0.15187000000E-02 -0.47180000000E-03 0.18010000000E-03 -0.41882000000E-04
1900
19633.354000 0.43025000000E-02 -0.13405000000E-02 0.51140000000E-03 -0.11902300000E-03
1901
8488.7347000 0.11452300000E-01 -0.35955000000E-02 0.13740000000E-02 -0.31960000000E-03
1902
3823.1381000 0.28564000000E-01 -0.91016000000E-02 0.34818000000E-02 -0.81070000000E-03
1903
1784.4755000 0.65748500000E-01 -0.21636000000E-01 0.83169000000E-02 -0.19360000000E-02
1904
860.05305000 0.13528950000 -0.47336500000E-01 0.18318000000E-01 -0.42722000000E-02
1905
426.69867000 0.23455140000 -0.92499700000E-01 0.36390300000E-01 -0.84945000000E-02
1906
217.26161000 0.30783510000 -0.15043510000 0.60808300000E-01 -0.14270900000E-01
1907
112.96987000 0.25299470000 -0.17212270000 0.73293900000E-01 -0.17268100000E-01
1908
59.449441000 0.96010400000E-01 -0.44017900000E-01 0.19741600000E-01 -0.47782000000E-02
1909
30.782256000 0.97885000000E-02 0.29738280000 -0.16129700000 0.39492700000E-01
1910
16.423212000 0.59120000000E-03 0.52797480000 -0.40219480000 0.10272000000
1911
8.7578890000 -0.55400000000E-04 0.30089050000 -0.29272480000 0.77352900000E-01
1912
4.4096290000 0.13800000000E-04 0.45881900000E-01 0.27069420000 -0.84956500000E-01
1913
2.2494490000 -0.64200000000E-04 0.12828000000E-02 0.63597590000 -0.22198340000
1914
1.1261150000 0.16900000000E-04 0.12588000000E-02 0.37024890000 -0.25320890000
1918
0.51548600000 1.0000000000
1922
0.24257800000 1.0000000000
1926
0.10708600000 1.0000000000
1930
0.46988000000E-01 1.0000000000
1932
(type: [am = p am = p am = p]
1933
{exp coef:0 coef:1 coef:2} = {
1934
32152.190000 0.28300000000E-04 -0.10700000000E-04 0.17000000000E-05
1935
7609.3842000 0.25290000000E-03 -0.95800000000E-04 0.15800000000E-04
1936
2471.4744000 0.14686000000E-02 -0.55820000000E-03 0.90800000000E-04
1937
946.06363000 0.65627000000E-02 -0.25040000000E-02 0.41200000000E-03
1938
401.94711000 0.23802300000E-01 -0.91996000000E-02 0.14984000000E-02
1939
183.64688000 0.70894500000E-01 -0.27997300000E-01 0.46252000000E-02
1940
88.533264000 0.16763840000 -0.68874600000E-01 0.11271300000E-01
1941
44.270355000 0.29597540000 -0.12738430000 0.21321200000E-01
1942
22.723083000 0.34886100000 -0.15858890000 0.25952300000E-01
1943
11.823141000 0.21754960000 -0.42496800000E-01 0.66320000000E-02
1944
6.0421350000 0.52051100000E-01 0.24414400000 -0.50170400000E-01
1945
3.0317540000 0.34378000000E-02 0.44591110000 -0.84297700000E-01
1946
1.4933660000 0.98330000000E-03 0.35295220000 -0.90302300000E-01
1950
0.70972700000 1.0000000000
1954
0.24859300000 1.0000000000
1958
0.94395000000E-01 1.0000000000
1962
0.35887000000E-01 1.0000000000
1964
(type: [(am = d puream = 1)]
1966
1040.5046000 0.89200000000E-04
1967
314.59714000 0.86250000000E-03
1968
122.78760000 0.50094000000E-02
1969
54.760369000 0.19964900000E-01
1970
26.298944000 0.58321400000E-01
1971
13.263445000 0.13168680000
1972
6.8850650000 0.22186760000
1973
3.5795250000 0.28250590000
1974
1.8315640000 0.28319890000
1976
(type: [(am = d puream = 1)]
1978
0.91290900000 1.0000000000
1980
(type: [(am = d puream = 1)]
1982
0.43534000000 1.0000000000
1984
(type: [(am = d puream = 1)]
1986
0.18851800000 1.0000000000
1988
(type: [(am = d puream = 1)]
1990
0.75800000000E-01 1.0000000000
1992
(type: [(am = f puream = 1)]
1994
0.13400000000 1.0000000000
1996
(type: [(am = f puream = 1)]
1998
0.28260000000 1.0000000000
2000
(type: [(am = f puream = 1)]
2002
0.59600000000 1.0000000000
2004
(type: [(am = g puream = 1)]
2006
0.27500000000 1.0000000000
2008
(type: [(am = g puream = 1)]
2010
0.61460000000 1.0000000000
2012
(type: [(am = h puream = 1)]
2014
0.49860000000 1.0000000000
2018
% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2019
germanium: "cc-pV5Z": [
2020
(type: [am = s am = s am = s am = s]
2021
{exp coef:0 coef:1 coef:2 coef:3} = {
2022
122001190.00 0.22000000000E-06 -0.70000000000E-07 0.30000000000E-07 -0.70000000000E-08
2023
18257470.000 0.17500000000E-05 -0.54000000000E-06 0.21000000000E-06 -0.54000000000E-07
2024
4150821.5000 0.92000000000E-05 -0.28600000000E-05 0.11000000000E-05 -0.28300000000E-06
2025
1174101.8000 0.38990000000E-04 -0.12130000000E-04 0.46700000000E-05 -0.11200000000E-05
2026
382309.15000 0.14280000000E-03 -0.44430000000E-04 0.17130000000E-04 -0.43910000000E-05
2027
137607.96000 0.47030000000E-03 -0.14640000000E-03 0.56400000000E-04 -0.14461000000E-04
2028
53419.242000 0.14267000000E-02 -0.44470000000E-03 0.17150000000E-03 -0.43965000000E-04
2029
22005.756000 0.40434000000E-02 -0.12637000000E-02 0.48720000000E-03 -0.12490000000E-03
2030
9513.8479000 0.10773200000E-01 -0.33920000000E-02 0.13097000000E-02 -0.33580000000E-03
2031
4284.1756000 0.26927300000E-01 -0.85979000000E-02 0.33232000000E-02 -0.85250000000E-03
2032
1999.1664000 0.62237400000E-01 -0.20496400000E-01 0.79591000000E-02 -0.20424000000E-02
2033
963.24716000 0.12903820000 -0.45057100000E-01 0.17609700000E-01 -0.45245000000E-02
2034
477.80500000 0.22673120000 -0.88792200000E-01 0.35257600000E-01 -0.90744000000E-02
2035
243.31589000 0.30489030000 -0.14662990000 0.59768700000E-01 -0.15448300000E-01
2036
126.63999000 0.26176620000 -0.17431400000 0.74740600000E-01 -0.19433800000E-01
2037
66.783579000 0.10763480000 -0.61165600000E-01 0.27786300000E-01 -0.73289000000E-02
2038
34.416084000 0.12623400000E-01 0.27166900000 -0.14728780000 0.39648500000E-01
2039
18.372814000 0.39180000000E-03 0.52802260000 -0.39742020000 0.11217960000
2040
9.8054610000 0.81200000000E-04 0.32401380000 -0.32056660000 0.93568600000E-01
2041
4.9694030000 -0.48900000000E-04 0.54417700000E-01 0.23319680000 -0.80645900000E-01
2042
2.5486230000 -0.31700000000E-04 0.14463000000E-02 0.64248900000 -0.25011090000
2043
1.2845940000 -0.10900000000E-05 0.14248000000E-02 0.39666840000 -0.29780990000
2047
0.58335300000 1.0000000000
2051
0.29343900000 1.0000000000
2055
0.13267200000 1.0000000000
2059
0.59239000000E-01 1.0000000000
2061
(type: [am = p am = p am = p]
2062
{exp coef:0 coef:1 coef:2} = {
2063
32314.970000 0.31600000000E-04 -0.12200000000E-04 0.24000000000E-05
2064
7648.2002000 0.28200000000E-03 -0.10840000000E-03 0.21400000000E-04
2065
2484.2114000 0.16353000000E-02 -0.63110000000E-03 0.12430000000E-03
2066
951.00305000 0.72864000000E-02 -0.28243000000E-02 0.55890000000E-03
2067
404.04833000 0.26293100000E-01 -0.10331700000E-01 0.20383000000E-02
2068
184.60354000 0.77594300000E-01 -0.31210200000E-01 0.62016000000E-02
2069
88.964128000 0.18036530000 -0.75595400000E-01 0.15010600000E-01
2070
44.447742000 0.30953540000 -0.13629440000 0.27412700000E-01
2071
22.799075000 0.34547520000 -0.15901500000 0.31779600000E-01
2072
11.835928000 0.19632900000 -0.14980500000E-01 0.92280000000E-03
2073
6.0112940000 0.40906800000E-01 0.28682250000 -0.69834200000E-01
2074
2.9957840000 0.24197000000E-02 0.46266560000 -0.11196000000
2075
1.4695700000 0.80030000000E-03 0.31685050000 -0.99356500000E-01
2079
0.69068100000 1.0000000000
2083
0.28616000000 1.0000000000
2087
0.11774200000 1.0000000000
2091
0.47385000000E-01 1.0000000000
2093
(type: [(am = d puream = 1)]
2095
1226.7982000 0.76300000000E-04
2096
371.23223000 0.74250000000E-03
2097
144.89099000 0.43756000000E-02
2098
64.604130000 0.17925700000E-01
2099
31.039737000 0.53925300000E-01
2100
15.643870000 0.12571910000
2101
8.1258220000 0.21915660000
2102
4.2397620000 0.28606620000
2103
2.1863860000 0.28965040000
2105
(type: [(am = d puream = 1)]
2107
1.1038710000 1.0000000000
2109
(type: [(am = d puream = 1)]
2111
0.53381100000 1.0000000000
2113
(type: [(am = d puream = 1)]
2115
0.23135500000 1.0000000000
2117
(type: [(am = d puream = 1)]
2119
0.95300000000E-01 1.0000000000
2121
(type: [(am = f puream = 1)]
2123
0.16300000000 1.0000000000
2125
(type: [(am = f puream = 1)]
2127
0.32970000000 1.0000000000
2129
(type: [(am = f puream = 1)]
2131
0.67090000000 1.0000000000
2133
(type: [(am = g puream = 1)]
2135
0.31600000000 1.0000000000
2137
(type: [(am = g puream = 1)]
2139
0.70340000000 1.0000000000
2141
(type: [(am = h puream = 1)]
2143
0.58150000000 1.0000000000
2147
% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2148
arsenic: "cc-pV5Z": [
2149
(type: [am = s am = s am = s am = s]
2150
{exp coef:0 coef:1 coef:2 coef:3} = {
2151
137507530.00 0.21000000000E-06 -0.70000000000E-07 0.30000000000E-07 -0.70000000000E-08
2152
20515052.000 0.16300000000E-05 -0.51000000000E-06 0.20000000000E-06 -0.55000000000E-07
2153
4648716.4000 0.86500000000E-05 -0.27000000000E-05 0.10500000000E-05 -0.28900000000E-06
2154
1311264.6000 0.36760000000E-04 -0.11470000000E-04 0.44700000000E-05 -0.12300000000E-05
2155
426185.86000 0.13488000000E-03 -0.42100000000E-04 0.16400000000E-04 -0.45170000000E-05
2156
153237.06000 0.44460000000E-03 -0.13880000000E-03 0.54040000000E-04 -0.14884000000E-04
2157
59459.404000 0.13488000000E-02 -0.42180000000E-03 0.16430000000E-03 -0.45265000000E-04
2158
24492.812000 0.38231000000E-02 -0.11984000000E-02 0.46690000000E-03 -0.12858200000E-03
2159
10590.253000 0.10190800000E-01 -0.32174000000E-02 0.12552000000E-02 -0.34580100000E-03
2160
4769.7841000 0.25502700000E-01 -0.81598000000E-02 0.31869000000E-02 -0.87803100000E-03
2161
2226.3698000 0.59110400000E-01 -0.19483400000E-01 0.76432000000E-02 -0.21073000000E-02
2162
1073.0862000 0.12328880000 -0.42978700000E-01 0.16966900000E-01 -0.46817000000E-02
2163
532.50059000 0.21917430000 -0.85298700000E-01 0.34190900000E-01 -0.94558000000E-02
2164
271.29755000 0.30136120000 -0.14284020000 0.58728700000E-01 -0.16299000000E-01
2165
141.31195000 0.26948920000 -0.17572820000 0.75885600000E-01 -0.21213800000E-01
2166
74.584433000 0.11912700000 -0.76412700000E-01 0.35061400000E-01 -0.98944000000E-02
2167
38.298338000 0.15698000000E-01 0.24665750000 -0.13386230000 0.38637900000E-01
2168
20.469130000 0.20470000000E-03 0.52538240000 -0.39136340000 0.11888930000
2169
10.939578000 0.22360000000E-03 0.34597240000 -0.34628200000 0.10889900000
2170
5.5903670000 -0.11680000000E-03 0.63953300000E-01 0.19413270000 -0.72207900000E-01
2171
2.8828590000 0.41900000000E-05 0.18299000000E-02 0.64519860000 -0.27180000000
2172
1.4660860000 -0.21670000000E-04 0.15645000000E-02 0.42348130000 -0.33716620000
2176
0.67483900000 1.0000000000
2180
0.34639900000 1.0000000000
2184
0.15928900000 1.0000000000
2188
0.72109000000E-01 1.0000000000
2190
(type: [am = p am = p am = p]
2191
{exp coef:0 coef:1 coef:2} = {
2192
34166.161000 0.32200000000E-04 -0.12600000000E-04 0.28000000000E-05
2193
8086.5608000 0.28680000000E-03 -0.11190000000E-03 0.24900000000E-04
2194
2626.5114000 0.16633000000E-02 -0.65160000000E-03 0.14510000000E-03
2195
1005.3950000 0.74125000000E-02 -0.29173000000E-02 0.65040000000E-03
2196
427.12735000 0.26751200000E-01 -0.10673800000E-01 0.23818000000E-02
2197
195.15113000 0.78894400000E-01 -0.32245500000E-01 0.72207000000E-02
2198
94.054308000 0.18299160000 -0.77973100000E-01 0.17531800000E-01
2199
46.999880000 0.31249410000 -0.14010380000 0.31741400000E-01
2200
24.117457000 0.34453220000 -0.16071320000 0.36544900000E-01
2201
12.519982000 0.19164360000 -0.76703000000E-02 -0.16024000000E-02
2202
6.3573250000 0.38713600000E-01 0.30079830000 -0.82464400000E-01
2203
3.1680520000 0.22418000000E-02 0.47158780000 -0.13443720000
2204
1.5534810000 0.72090000000E-03 0.30320640000 -0.10516860000
2208
0.71032500000 1.0000000000
2212
0.32095500000 1.0000000000
2216
0.13935700000 1.0000000000
2220
0.58410000000E-01 1.0000000000
2222
(type: [(am = d puream = 1)]
2224
1424.4506000 0.66600000000E-04
2225
431.06676000 0.65370000000E-03
2226
168.12864000 0.39041000000E-02
2227
74.866724000 0.16391900000E-01
2228
35.945855000 0.50623200000E-01
2229
18.098474000 0.12110210000
2230
9.4057800000 0.21681690000
2231
4.9239040000 0.28874520000
2232
2.5564930000 0.29477690000
2234
(type: [(am = d puream = 1)]
2236
1.3042330000 1.0000000000
2238
(type: [(am = d puream = 1)]
2240
0.63711800000 1.0000000000
2242
(type: [(am = d puream = 1)]
2244
0.27579500000 1.0000000000
2246
(type: [(am = d puream = 1)]
2248
0.11530000000 1.0000000000
2250
(type: [(am = f puream = 1)]
2252
0.19600000000 1.0000000000
2254
(type: [(am = f puream = 1)]
2256
0.38590000000 1.0000000000
2258
(type: [(am = f puream = 1)]
2260
0.75990000000 1.0000000000
2262
(type: [(am = g puream = 1)]
2264
0.37000000000 1.0000000000
2266
(type: [(am = g puream = 1)]
2268
0.80920000000 1.0000000000
2270
(type: [(am = h puream = 1)]
2272
0.67730000000 1.0000000000
2276
% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2277
selenium: "cc-pV5Z": [
2278
(type: [am = s am = s am = s am = s]
2279
{exp coef:0 coef:1 coef:2 coef:3} = {
2280
154432250.00 0.19000000000E-06 -0.60000000000E-07 0.20000000000E-07 -0.70000000000E-08
2281
23129212.000 0.15100000000E-05 -0.47000000000E-06 0.19000000000E-06 -0.54000000000E-07
2282
5261792.9000 0.79600000000E-05 -0.24900000000E-05 0.98000000000E-06 -0.28700000000E-06
2283
1488816.7000 0.33750000000E-04 -0.10560000000E-04 0.41500000000E-05 -0.12140000000E-05
2284
484656.56000 0.12372000000E-03 -0.38730000000E-04 0.15240000000E-04 -0.44560000000E-05
2285
174270.63000 0.40839000000E-03 -0.12786000000E-03 0.50310000000E-04 -0.14706000000E-04
2286
67529.090000 0.12431000000E-02 -0.38980000000E-03 0.15346000000E-03 -0.44871000000E-04
2287
27750.837000 0.35389000000E-02 -0.11123000000E-02 0.43780000000E-03 -0.12798900000E-03
2288
11964.216000 0.94822000000E-02 -0.30007000000E-02 0.11827000000E-02 -0.34570200000E-03
2289
5370.7148000 0.23890100000E-01 -0.76563000000E-02 0.30208000000E-02 -0.88340000000E-03
2290
2497.3194000 0.55875700000E-01 -0.18422100000E-01 0.72992000000E-02 -0.21363000000E-02
2291
1198.7679000 0.11791040000 -0.41018400000E-01 0.16352800000E-01 -0.47892000000E-02
2292
592.58026000 0.21279620000 -0.82302600000E-01 0.33296200000E-01 -0.97758000000E-02
2293
300.97708000 0.29893040000 -0.13988400000 0.58013900000E-01 -0.17087700000E-01
2294
156.46024000 0.27656510000 -0.17703370000 0.77023300000E-01 -0.22865600000E-01
2295
82.476086000 0.12929410000 -0.88776100000E-01 0.41106500000E-01 -0.12302800000E-01
2296
42.270887000 0.18587500000E-01 0.22515370000 -0.12257820000 0.37525400000E-01
2297
22.630220000 0.77300000000E-04 0.52071710000 -0.38533970000 0.12443420000
2298
12.122374000 0.34270000000E-03 0.36450930000 -0.36750730000 0.12311950000
2299
6.2491700000 -0.17530000000E-03 0.73616900000E-01 0.15743400000 -0.62433000000E-01
2300
3.2426780000 0.35700000000E-04 0.23540000000E-02 0.64408720000 -0.28948340000
2301
1.6663620000 -0.40650000000E-04 0.16947000000E-02 0.44822090000 -0.37443990000
2305
0.78726400000 1.0000000000
2309
0.40297200000 1.0000000000
2313
0.18709600000 1.0000000000
2317
0.84706000000E-01 1.0000000000
2319
(type: [am = p am = p am = p]
2320
{exp coef:0 coef:1 coef:2} = {
2321
36511.337000 0.32000000000E-04 -0.12700000000E-04 0.31000000000E-05
2322
8640.5510000 0.28540000000E-03 -0.11300000000E-03 0.27300000000E-04
2323
2805.6911000 0.16567000000E-02 -0.65820000000E-03 0.15930000000E-03
2324
1073.4961000 0.73955000000E-02 -0.29528000000E-02 0.71360000000E-03
2325
455.77475000 0.26754300000E-01 -0.10828900000E-01 0.26260000000E-02
2326
208.09432000 0.79098900000E-01 -0.32812400000E-01 0.79667000000E-02
2327
100.23111000 0.18379670000 -0.79507000000E-01 0.19444000000E-01
2328
50.073522000 0.31380410000 -0.14302740000 0.35132800000E-01
2329
25.700262000 0.34436500000 -0.16277870000 0.40402800000E-01
2330
13.346792000 0.18985910000 -0.42983000000E-02 -0.33969000000E-02
2331
6.7870510000 0.37919300000E-01 0.30918290000 -0.92099900000E-01
2332
3.3916540000 0.21781000000E-02 0.47760130000 -0.15350900000
2333
1.6703270000 0.65900000000E-03 0.29285260000 -0.10587050000
2337
0.75259900000 1.0000000000
2341
0.34681300000 1.0000000000
2345
0.15185500000 1.0000000000
2349
0.63856000000E-01 1.0000000000
2351
(type: [(am = d puream = 1)]
2353
1635.0663000 0.59100000000E-04
2354
494.67266000 0.58400000000E-03
2355
192.84388000 0.35256000000E-02
2356
85.782195000 0.15112700000E-01
2357
41.149966000 0.47844600000E-01
2358
20.678170000 0.11743450000
2359
10.726386000 0.21590740000
2360
5.6124540000 0.29292160000
2361
2.9203760000 0.30008640000
2363
(type: [(am = d puream = 1)]
2365
1.4981840000 1.0000000000
2367
(type: [(am = d puream = 1)]
2369
0.73599900000 1.0000000000
2371
(type: [(am = d puream = 1)]
2373
0.31600400000 1.0000000000
2375
(type: [(am = d puream = 1)]
2377
0.13310000000 1.0000000000
2379
(type: [(am = f puream = 1)]
2381
0.21000000000 1.0000000000
2383
(type: [(am = f puream = 1)]
2385
0.42110000000 1.0000000000
2387
(type: [(am = f puream = 1)]
2389
0.84420000000 1.0000000000
2391
(type: [(am = g puream = 1)]
2393
0.38500000000 1.0000000000
2395
(type: [(am = g puream = 1)]
2397
0.86590000000 1.0000000000
2399
(type: [(am = h puream = 1)]
2401
0.72350000000 1.0000000000
2405
% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2406
bromine: "cc-pV5Z": [
2407
(type: [am = s am = s am = s am = s]
2408
{exp coef:0 coef:1 coef:2 coef:3} = {
2409
165735150.00 0.19000000000E-06 -0.60000000000E-07 0.20000000000E-07 -0.70000000000E-08
2410
24774379.000 0.14900000000E-05 -0.47000000000E-06 0.19000000000E-06 -0.57000000000E-07
2411
5628202.0000 0.78800000000E-05 -0.24700000000E-05 0.98000000000E-06 -0.30100000000E-06
2412
1591899.7000 0.33390000000E-04 -0.10480000000E-04 0.41600000000E-05 -0.12760000000E-05
2413
518263.80000 0.12231000000E-03 -0.38400000000E-04 0.15260000000E-04 -0.46780000000E-05
2414
186490.92000 0.40321000000E-03 -0.12660000000E-03 0.50310000000E-04 -0.15416000000E-04
2415
72332.493000 0.12256400000E-02 -0.38545000000E-03 0.15325000000E-03 -0.46975000000E-04
2416
29761.135000 0.34823500000E-02 -0.10976100000E-02 0.43637000000E-03 -0.13372100000E-03
2417
12851.712000 0.93085600000E-02 -0.29537900000E-02 0.11758000000E-02 -0.36048500000E-03
2418
5780.9430000 0.23388300000E-01 -0.75146000000E-02 0.29946000000E-02 -0.91797600000E-03
2419
2695.0098000 0.54553000000E-01 -0.18023000000E-01 0.72119000000E-02 -0.22129000000E-02
2420
1297.6604000 0.11494790000 -0.40025500000E-01 0.16115100000E-01 -0.49473000000E-02
2421
643.63493000 0.20792250000 -0.80291900000E-01 0.32794300000E-01 -0.10095100000E-01
2422
327.95194000 0.29515960000 -0.13721660000 0.57430900000E-01 -0.17732400000E-01
2423
170.92262000 0.27987660000 -0.17694390000 0.77618700000E-01 -0.24165300000E-01
2424
90.250141000 0.13697520000 -0.97703300000E-01 0.45646400000E-01 -0.14318000000E-01
2425
46.292467000 0.21215400000E-01 0.20676330000 -0.11311710000 0.36281200000E-01
2426
24.848661000 -0.25400000000E-04 0.51484190000 -0.37955960000 0.12865520000
2427
13.347137000 0.45700000000E-03 0.37992060000 -0.38514940000 0.13568880000
2428
6.9482580000 -0.23480000000E-03 0.83012800000E-01 0.12368510000 -0.51676400000E-01
2429
3.6250750000 0.68580000000E-04 0.32157000000E-02 0.64061380000 -0.30307240000
2430
1.8821530000 -0.61160000000E-04 0.17129000000E-02 0.47074360000 -0.40738380000
2434
0.91082200000 1.0000000000
2438
0.46395700000 1.0000000000
2442
0.21693300000 1.0000000000
2446
0.98406000000E-01 1.0000000000
2448
(type: [am = p am = p am = p]
2449
{exp coef:0 coef:1 coef:2} = {
2450
39391.530000 0.31200000000E-04 -0.12500000000E-04 0.32000000000E-05
2451
9325.2225000 0.27800000000E-03 -0.11160000000E-03 0.28800000000E-04
2452
3028.9943000 0.16138000000E-02 -0.64990000000E-03 0.16840000000E-03
2453
1159.5145000 0.72049000000E-02 -0.29159000000E-02 0.75430000000E-03
2454
492.68131000 0.26087300000E-01 -0.10700900000E-01 0.27801000000E-02
2455
225.17451000 0.77297100000E-01 -0.32495100000E-01 0.84462000000E-02
2456
108.59326000 0.18047750000 -0.79112300000E-01 0.20737600000E-01
2457
54.336079000 0.31061260000 -0.14352520000 0.37754200000E-01
2458
27.936650000 0.34542970000 -0.16582480000 0.44206200000E-01
2459
14.539626000 0.19485150000 -0.10659100000E-01 -0.21775000000E-02
2460
7.4213070000 0.40386000000E-01 0.30506620000 -0.97953000000E-01
2461
3.7303890000 0.23091000000E-02 0.48135630000 -0.16926560000
2462
1.8541270000 0.67150000000E-03 0.29427690000 -0.11174900000
2466
0.84533700000 1.0000000000
2470
0.39215200000 1.0000000000
2474
0.17276700000 1.0000000000
2478
0.72908000000E-01 1.0000000000
2480
(type: [(am = d puream = 1)]
2482
1850.6354000 0.53800000000E-04
2483
557.07125000 0.54020000000E-03
2484
216.48687000 0.33012000000E-02
2485
96.138850000 0.14355100000E-01
2486
46.126380000 0.46116800000E-01
2487
23.201164000 0.11478730000
2488
12.055926000 0.21453690000
2489
6.3255450000 0.29531310000
2490
3.3049220000 0.30409380000
2492
(type: [(am = d puream = 1)]
2494
1.7042530000 1.0000000000
2496
(type: [(am = d puream = 1)]
2498
0.83994000000 1.0000000000
2500
(type: [(am = d puream = 1)]
2502
0.35695300000 1.0000000000
2504
(type: [(am = d puream = 1)]
2506
0.15200000000 1.0000000000
2508
(type: [(am = f puream = 1)]
2510
0.25500000000 1.0000000000
2512
(type: [(am = f puream = 1)]
2514
0.49550000000 1.0000000000
2516
(type: [(am = f puream = 1)]
2518
0.96270000000 1.0000000000
2520
(type: [(am = g puream = 1)]
2522
0.43900000000 1.0000000000
2524
(type: [(am = g puream = 1)]
2526
0.97680000000 1.0000000000
2528
(type: [(am = h puream = 1)]
2530
0.81930000000 1.0000000000
2534
% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2535
krypton: "cc-pV5Z": [
2536
(type: [am = s am = s am = s am = s]
2537
{exp coef:0 coef:1 coef:2 coef:3} = {
2538
182822090.00 0.18000000000E-06 -0.57000000000E-06 0.20000000000E-07 -0.60000000000E-08
2539
27356156.000 0.14200000000E-05 -0.45000000000E-06 0.18000000000E-06 -0.57000000000E-07
2540
6221170.4000 0.74600000000E-05 -0.23500000000E-05 0.94000000000E-06 -0.30000000000E-06
2541
1760277.9000 0.31590000000E-04 -0.99400000000E-05 0.39900000000E-05 -0.12700000000E-05
2542
573193.82000 0.11575000000E-03 -0.36400000000E-04 0.14620000000E-04 -0.46580000000E-05
2543
206258.45000 0.38150000000E-03 -0.12010000000E-03 0.48190000000E-04 -0.15347000000E-04
2544
80026.669000 0.11590000000E-02 -0.36540000000E-03 0.14670000000E-03 -0.46736000000E-04
2545
32939.084000 0.32934000000E-02 -0.10407000000E-02 0.41770000000E-03 -0.13302200000E-03
2546
14222.633000 0.88161000000E-02 -0.28038000000E-02 0.11267000000E-02 -0.35906200000E-03
2547
6393.0707000 0.22218000000E-01 -0.71509000000E-02 0.28769000000E-02 -0.91650000000E-03
2548
2976.4538000 0.52088100000E-01 -0.17220400000E-01 0.69549000000E-02 -0.22184000000E-02
2549
1430.5254000 0.11063560000 -0.38480000000E-01 0.15636500000E-01 -0.49883000000E-02
2550
707.92621000 0.20253260000 -0.77862800000E-01 0.32080100000E-01 -0.10266100000E-01
2551
359.84847000 0.29263500000 -0.13474230000 0.56868900000E-01 -0.18244500000E-01
2552
187.14965000 0.28512240000 -0.17761480000 0.78484500000E-01 -0.25411000000E-01
2553
98.634523000 0.14550640000 -0.10684130000 0.50339800000E-01 -0.16393100000E-01
2554
50.547869000 0.23993900000E-01 0.18961320000 -0.10427420000 0.34697700000E-01
2555
27.167004000 -0.94900000000E-04 0.50918710000 -0.37437610000 0.13212830000
2556
14.615098000 0.55780000000E-03 0.39398590000 -0.40111310000 0.14709250000
2557
7.6513520000 -0.28700000000E-03 0.91903200000E-01 0.96838800000E-01 -0.41821600000E-01
2558
3.9972630000 0.96600000000E-04 0.39195000000E-02 0.64287760000 -0.31952400000
2559
2.0858530000 -0.78400000000E-04 0.17496000000E-02 0.48606000000 -0.43632860000
2563
1.0147970000 1.0000000000
2567
0.51978800000 1.0000000000
2571
0.24510300000 1.0000000000
2575
0.11189600000 1.0000000000
2577
(type: [am = p am = p am = p]
2578
{exp coef:0 coef:1 coef:2} = {
2579
42993.056000 0.29700000000E-04 -0.12100000000E-04 0.33000000000E-05
2580
10173.723000 0.26510000000E-03 -0.10780000000E-03 0.29300000000E-04
2581
3303.1057000 0.15416000000E-02 -0.62900000000E-03 0.17130000000E-03
2582
1263.5400000 0.69065000000E-02 -0.28323000000E-02 0.76950000000E-03
2583
536.36546000 0.25139700000E-01 -0.10446200000E-01 0.28514000000E-02
2584
244.87617000 0.75012400000E-01 -0.31940000000E-01 0.87204000000E-02
2585
117.99117000 0.17674330000 -0.78459900000E-01 0.21618100000E-01
2586
59.021248000 0.30751350000 -0.14397190000 0.39802400000E-01
2587
30.356067000 0.34706440000 -0.16917030000 0.47477500000E-01
2588
15.819977000 0.20028020000 -0.17596600000E-01 -0.47730000000E-03
2589
8.1045800000 0.43050800000E-01 0.30026490000 -0.10218910000
2590
4.0979640000 0.24772000000E-02 0.48476610000 -0.18236110000
2591
2.0560610000 0.67890000000E-03 0.29672480000 -0.11733630000
2595
0.95214500000 1.0000000000
2599
0.44477400000 1.0000000000
2603
0.19749600000 1.0000000000
2607
0.83823000000E-01 1.0000000000
2609
(type: [(am = d puream = 1)]
2611
2067.4360000 0.49600000000E-04
2612
625.69371000 0.49440000000E-03
2613
243.94679000 0.30265000000E-02
2614
108.42373000 0.13346100000E-01
2615
52.005216000 0.43786900000E-01
2616
26.115405000 0.11143880000
2617
13.546748000 0.21303410000
2618
7.1058100000 0.29792410000
2619
3.7215540000 0.30796600000
2621
(type: [(am = d puream = 1)]
2623
1.9291200000 1.0000000000
2625
(type: [(am = d puream = 1)]
2627
0.95582600000 1.0000000000
2629
(type: [(am = d puream = 1)]
2631
0.40519700000 1.0000000000
2633
(type: [(am = d puream = 1)]
2635
0.17410000000 1.0000000000
2637
(type: [(am = f puream = 1)]
2639
0.31500000000 1.0000000000
2641
(type: [(am = f puream = 1)]
2643
0.58700000000 1.0000000000
2645
(type: [(am = f puream = 1)]
2647
1.0940000000 1.0000000000
2649
(type: [(am = g puream = 1)]
2651
0.50100000000 1.0000000000
2653
(type: [(am = g puream = 1)]
2655
1.1040000000 1.0000000000
2657
(type: [(am = h puream = 1)]
2659
0.93030000000 1.0000000000