/usr/share/nwchem/libraries/aug-cc-pv6z is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# H: K.A. Peterson, D.E. Woon and T. H. Dunning, Jr., (to be published).
# B - Ne: A. K. Wilson, T. v. Mourik and T. H. Dunning, Jr., J. Mol. Struct.
# (THEOCHEM) 388, 339 (1997).
# S: J.G. Hill, S. Mazumder, and K.A. Peterson, Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar, Journal of Chemical Physics 132, 054108 (2010).
#
# Elements References
# -------- ---------
# H : K.A. Peterson, D.E. Woon (unpublished)
# B - O: A.K. Wilson, T. van Mourik and T.H. Dunning, Jr. J. Mol. Struct.
# (THEOCHEM) 388, 339 (1997).
# Cl:
#
basis "H_aug-cc-pV6Z" SPHERICAL
H S
1776.7755600 0.0000440
254.0177120 0.0003720
54.6980390 0.0020940
15.0183440 0.0088630
4.91507800 0.0305400
H S
1.79492400 1.0000000
H S
0.71071600 1.0000000
H S
0.30480200 1.0000000
H S
0.13804600 1.0000000
H S
0.06215700 1.0000000
H S
0.0189000 1.0000000
H P
8.6490000 1.0000000
H P
3.4300000 1.0000000
H P
1.3600000 1.0000000
H P
0.5390000 1.0000000
H P
0.2140000 1.0000000
H P
0.0670000 1.0000000
H D
4.4530000 1.0000000
H D
1.9580000 1.0000000
H D
0.8610000 1.0000000
H D
0.3780000 1.0000000
H D
0.1260000 1.0000000
H F
4.1000000 1.0000000
H F
1.7800000 1.0000000
H F
0.7730000 1.0000000
H F
0.2450000 1.0000000
H G
3.1990000 1.0000000
H G
1.3260000 1.0000000
H G
0.4070000 1.0000000
H H
2.6530000 1.0000000
H H
0.6820000 1.0000000
end
basis "He_aug-cc-pV6Z" SPHERICAL
He S
4785.0000000 0.0000006
717.0000000 0.0000047
163.2000000 0.0000244
46.2600000 0.0001012
15.1000000 0.0003486
He S
5.4370000 1.0000000
He S
2.0880000 1.0000000
He S
0.8297000 1.0000000
He S
0.3366000 1.0000000
He S
0.1369000 1.0000000
He S
0.0447300 1.0000000
He P
0.3870000 1.0000000
He P
0.9840000 1.0000000
He P
2.4980000 1.0000000
He P
6.3420000 1.0000000
He P
16.1040000 1.0000000
He P
0.1280000 1.0000000
He D
0.7470000 1.0000000
He D
1.9100000 1.0000000
He D
4.8860000 1.0000000
He D
12.4980000 1.0000000
He D
0.2410000 1.0000000
He F
1.2920000 1.0000000
He F
3.4620000 1.0000000
He F
9.2760000 1.0000000
He F
0.4070000 1.0000000
He G
2.2360000 1.0000000
He G
6.5860000 1.0000000
He G
0.6860000 1.0000000
He H
4.1590000 1.0000000
He H
1.0160000 1.0000000
end
basis "B_aug-cc-pV6Z" SPHERICAL
B S
210400.0000000 0.00000583 -0.00000118
31500.0000000 0.00004532 -0.00000915
7169.0000000 0.00023838 -0.00004819
2030.0000000 0.00100570 -0.00020306
662.5000000 0.00364496 -0.00073917
239.2000000 0.01173628 -0.00238603
93.2600000 0.03380702 -0.00698654
38.6400000 0.08556593 -0.01811594
16.7800000 0.18260322 -0.04123129
7.5410000 0.30583760 -0.07781353
3.4820000 0.34080347 -0.12123181
B S
1.6180000 1.0000000
B S
0.6270000 1.0000000
B S
0.2934000 1.0000000
B S
0.1310000 1.0000000
B S
0.0581500 1.0000000
B S
0.0230000 1.0000000
B P
192.5000000 0.00013490
45.6400000 0.00114741
14.7500000 0.00584793
5.5030000 0.02117091
2.2220000 0.06266872
B P
0.9590000 1.0000000
B P
0.4314000 1.0000000
B P
0.1969000 1.0000000
B P
0.0903300 1.0000000
B P
0.0406600 1.0000000
B P
0.0136500 1.0000000
B D
2.8860000 1.0000000
B D
1.2670000 1.0000000
B D
0.5560000 1.0000000
B D
0.2440000 1.0000000
B D
0.1070000 1.0000000
B D
0.0392000 1.0000000
B F
1.6510000 1.0000000
B F
0.8002000 1.0000000
B F
0.3878000 1.0000000
B F
0.1880000 1.0000000
B F
0.0733000 1.0000000
B G
1.6469000 1.0000000
B G
0.7889000 1.0000000
B G
0.3779000 1.0000000
B G
0.1620000 1.0000000
B H
1.3120000 1.0000000
B H
0.5806000 1.0000000
B H
0.2880000 1.0000000
B I
0.9847000 1.0000000
B I
0.5000000 1.0000000
end
basis "C_aug-cc-pV6Z" SPHERICAL
C S
312100.0000000 0.00000567 -0.00000121
46740.0000000 0.00004410 -0.00000939
10640.0000000 0.00023190 -0.00004947
3013.0000000 0.00097897 -0.00020857
982.8000000 0.00355163 -0.00076015
354.8000000 0.01144061 -0.00245469
138.4000000 0.03299855 -0.00720153
57.3500000 0.08405347 -0.01880742
24.9200000 0.18067613 -0.04325001
11.2300000 0.30491140 -0.08259733
5.2010000 0.34141570 -0.12857592
C S
2.4260000 1.0000000
C S
0.9673000 1.0000000
C S
0.4456000 1.0000000
C S
0.1971000 1.0000000
C S
0.0863500 1.0000000
C S
0.0354000 1.0000000
C P
295.2000000 0.00014249
69.9800000 0.00122010
22.6400000 0.00633696
8.4850000 0.02351875
3.4590000 0.06990447
C P
1.5040000 1.0000000
C P
0.6783000 1.0000000
C P
0.3087000 1.0000000
C P
0.1400000 1.0000000
C P
0.0617800 1.0000000
C P
0.0237600 1.0000000
C D
4.5420000 1.0000000
C D
1.9790000 1.0000000
C D
0.8621000 1.0000000
C D
0.3756000 1.0000000
C D
0.1636000 1.0000000
C D
0.0636000 1.0000000
C F
2.6310000 1.0000000
C F
1.2550000 1.0000000
C F
0.5988000 1.0000000
C F
0.2857000 1.0000000
C F
0.1180000 1.0000000
C G
2.6520000 1.0000000
C G
1.2040000 1.0000000
C G
0.5470000 1.0000000
C G
0.2540000 1.0000000
C H
2.0300000 1.0000000
C H
0.8511000 1.0000000
C H
0.4510000 1.0000000
C I
1.4910000 1.0000000
C I
0.7760000 1.0000000
end
basis "N_aug-cc-pV6Z" SPHERICAL
N S
432300.0000000 0.00000559 -0.00000123
64700.0000000 0.00004351 -0.00000958
14720.0000000 0.00022893 -0.00005051
4170.0000000 0.00096502 -0.00021264
1361.0000000 0.00350219 -0.00077534
491.2000000 0.01129212 -0.00250624
191.6000000 0.03261283 -0.00736529
79.4100000 0.08329727 -0.01930167
34.5300000 0.17998566 -0.04471738
15.5800000 0.30500351 -0.08606647
7.2320000 0.34115932 -0.13329627
N S
3.3820000 1.0000000
N S
1.3690000 1.0000000
N S
0.6248000 1.0000000
N S
0.2747000 1.0000000
N S
0.1192000 1.0000000
N S
0.0471400 1.0000000
N P
415.9000000 0.00014841
98.6100000 0.00127634
31.9200000 0.00670242
12.0000000 0.02526170
4.9190000 0.07518943
N P
2.1480000 1.0000000
N P
0.9696000 1.0000000
N P
0.4399000 1.0000000
N P
0.1978000 1.0000000
N P
0.0860300 1.0000000
N P
0.0315000 1.0000000
N D
6.7170000 1.0000000
N D
2.8960000 1.0000000
N D
1.2490000 1.0000000
N D
0.5380000 1.0000000
N D
0.2320000 1.0000000
N D
0.0874000 1.0000000
N F
3.8290000 1.0000000
N F
1.7950000 1.0000000
N F
0.8410000 1.0000000
N F
0.3940000 1.0000000
N F
0.1510000 1.0000000
N G
3.8560000 1.0000000
N G
1.7020000 1.0000000
N G
0.7510000 1.0000000
N G
0.3260000 1.0000000
N H
2.8750000 1.0000000
N H
1.1700000 1.0000000
N H
0.5870000 1.0000000
N I
2.0990000 1.0000000
N I
1.0410000 1.0000000
end
basis "O_aug-cc-pV6Z" SPHERICAL
O S
570800.0000000 0.00000555 -0.00000126
85480.0000000 0.00004311 -0.00000977
19460.0000000 0.00022667 -0.00005148
5512.0000000 0.00095637 -0.00021696
1798.0000000 0.00347320 -0.00079162
648.9000000 0.01119778 -0.00255900
253.1000000 0.03238766 -0.00753313
104.9000000 0.08285977 -0.01978897
45.6500000 0.17958381 -0.04606288
20.6200000 0.30522110 -0.08919560
9.5870000 0.34089349 -0.13754216
O S
4.4930000 1.0000000
O S
1.8370000 1.0000000
O S
0.8349000 1.0000000
O S
0.3658000 1.0000000
O S
0.1570000 1.0000000
O S
0.0593500 1.0000000
O P
525.6000000 0.00016664
124.6000000 0.00143336
40.3400000 0.00754762
15.1800000 0.02859456
6.2450000 0.08438858
O P
2.7320000 1.0000000
O P
1.2270000 1.0000000
O P
0.5492000 1.0000000
O P
0.2418000 1.0000000
O P
0.1025000 1.0000000
O P
0.0338000 1.0000000
O D
8.2530000 1.0000000
O D
3.5970000 1.0000000
O D
1.5680000 1.0000000
O D
0.6840000 1.0000000
O D
0.2980000 1.0000000
O D
0.1150000 1.0000000
O F
5.4300000 1.0000000
O F
2.4160000 1.0000000
O F
1.0750000 1.0000000
O F
0.4780000 1.0000000
O F
0.1950000 1.0000000
O G
5.2110000 1.0000000
O G
2.1900000 1.0000000
O G
0.9200000 1.0000000
O G
0.4060000 1.0000000
O H
3.8720000 1.0000000
O H
1.5050000 1.0000000
O H
0.7480000 1.0000000
O I
2.7730000 1.0000000
O I
1.3450000 1.0000000
end
basis "F_aug-cc-pV6Z" SPHERICAL
F S
723500.0000000 0.00000556 -0.00000129
108400.0000000 0.00004318 -0.00000999
24680.0000000 0.00022700 -0.00005260
6990.0000000 0.00095803 -0.00022172
2282.0000000 0.00347015 -0.00080692
824.6000000 0.01118526 -0.00260817
321.8000000 0.03232880 -0.00767402
133.5000000 0.08279545 -0.02019353
58.1100000 0.17988024 -0.04718752
26.2800000 0.30557831 -0.09158009
12.2400000 0.34026839 -0.14048558
F S
5.7470000 1.0000000
F S
2.3650000 1.0000000
F S
1.0710000 1.0000000
F S
0.4681000 1.0000000
F S
0.1994000 1.0000000
F S
0.0731500 1.0000000
F P
660.0000000 0.00017721
156.4000000 0.00152691
50.6400000 0.00807207
19.0800000 0.03074021
7.8720000 0.09011914
F P
3.4490000 1.0000000
F P
1.5450000 1.0000000
F P
0.6864000 1.0000000
F P
0.2986000 1.0000000
F P
0.1245000 1.0000000
F P
0.0476000 1.0000000
F D
10.5730000 1.0000000
F D
4.6130000 1.0000000
F D
2.0130000 1.0000000
F D
0.8780000 1.0000000
F D
0.3830000 1.0000000
F D
0.1510000 1.0000000
F F
7.5630000 1.0000000
F F
3.3300000 1.0000000
F F
1.4660000 1.0000000
F F
0.6450000 1.0000000
F F
0.2720000 1.0000000
F G
6.7350000 1.0000000
F G
2.7830000 1.0000000
F G
1.1500000 1.0000000
F G
0.5200000 1.0000000
F H
5.0880000 1.0000000
F H
1.9370000 1.0000000
F H
0.9850000 1.0000000
F I
3.5810000 1.0000000
F I
1.7390000 1.0000000
end
basis "Ne_aug-cc-pV6Z" SPHERICAL
Ne S
902400.0000000 0.00000551 -0.00000129
135100.0000000 0.00004282 -0.00001005
30750.0000000 0.00022514 -0.00005293
8710.0000000 0.00095016 -0.00022312
2842.0000000 0.00344719 -0.00081338
1026.0000000 0.01112545 -0.00263230
400.1000000 0.03220568 -0.00775910
165.9000000 0.08259891 -0.02045277
72.2100000 0.17990564 -0.04797505
32.6600000 0.30605208 -0.09340086
15.2200000 0.34012559 -0.14277215
Ne S
7.1490000 1.0000000
Ne S
2.9570000 1.0000000
Ne S
1.3350000 1.0000000
Ne S
0.5816000 1.0000000
Ne S
0.2463000 1.0000000
Ne S
0.0869000 1.0000000
Ne P
815.6000000 0.00018376
193.3000000 0.00158509
62.6000000 0.00841464
23.6100000 0.03220033
9.7620000 0.09396390
Ne P
4.2810000 1.0000000
Ne P
1.9150000 1.0000000
Ne P
0.8476000 1.0000000
Ne P
0.3660000 1.0000000
Ne P
0.1510000 1.0000000
Ne P
0.0566000 1.0000000
Ne D
13.3170000 1.0000000
Ne D
5.8030000 1.0000000
Ne D
2.5290000 1.0000000
Ne D
1.1020000 1.0000000
Ne D
0.4800000 1.0000000
Ne D
0.1870000 1.0000000
Ne F
10.3560000 1.0000000
Ne F
4.5380000 1.0000000
Ne F
1.9890000 1.0000000
Ne F
0.8710000 1.0000000
Ne F
0.3492000 1.0000000
Ne G
8.3450000 1.0000000
Ne G
3.4170000 1.0000000
Ne G
1.3990000 1.0000000
Ne G
0.6345000 1.0000000
Ne H
6.5190000 1.0000000
Ne H
2.4470000 1.0000000
Ne H
1.2093000 1.0000000
Ne I
4.4890000 1.0000000
Ne I
2.1215000 1.0000000
end
basis "Al_aug-cc-pV6Z" SPHERICAL
Al S
3652000.0000000 0.0000019 -0.0000005 0.0000001
546800.0000000 0.0000145 -0.0000038 0.0000009
124500.0000000 0.0000762 -0.0000198 0.0000046
35440.0000000 0.0003158 -0.0000821 0.0000190
11840.0000000 0.0010974 -0.0002858 0.0000659
4434.0000000 0.0033697 -0.0008785 0.0002031
1812.0000000 0.0093222 -0.0024482 0.0005647
791.5000000 0.0237992 -0.0063100 0.0014620
361.0000000 0.0568191 -0.0154854 0.0035794
169.5000000 0.1224680 -0.0349589 0.0081516
81.6800000 0.2238970 -0.0707729 0.0165276
40.2800000 0.3134460 -0.1194230 0.0285467
20.2500000 0.2749750 -0.1488420 0.0361484
10.2300000 0.1105640 -0.0590465 0.0153804
4.8020000 0.0119215 0.2166930 -0.0612141
2.3390000 0.0006528 0.4765570 -0.1512630
Al S
1.1630000 1.0000000
Al S
0.5882000 1.0000000
Al S
0.2311000 1.0000000
Al S
0.1027000 1.0000000
Al S
0.0452100 1.0000000
Al S
0.0173700 1.0000000
Al P
2884.0000000 0.0000638 -0.0000080
683.2000000 0.0005631 -0.0000651
222.0000000 0.0031691 -0.0003999
84.8200000 0.0132401 -0.0015369
35.8100000 0.0433403 -0.0055644
16.2200000 0.1119500 -0.0131106
7.7020000 0.2177960 -0.0297200
3.7410000 0.3116750 -0.0347195
1.8310000 0.3167220 -0.0551621
Al P
0.8878000 1.0000000
Al P
0.3989000 1.0000000
Al P
0.1718000 1.0000000
Al P
0.0729800 1.0000000
Al P
0.0306900 1.0000000
Al P
0.0102100 1.0000000
Al D
2.2143000 1.0000000
Al D
0.9449000 1.0000000
Al D
0.4032000 1.0000000
Al D
0.1721000 1.0000000
Al D
0.0734300 1.0000000
Al D
0.0266600 1.0000000
Al F
0.8756000 1.0000000
Al F
0.4472000 1.0000000
Al F
0.2284000 1.0000000
Al F
0.1167000 1.0000000
Al F
0.0462500 1.0000000
Al G
0.6952000 1.0000000
Al G
0.3771000 1.0000000
Al G
0.2046000 1.0000000
Al G
0.0854500 1.0000000
Al H
0.6560000 1.0000000
Al H
0.3300000 1.0000000
Al H
0.1655000 1.0000000
Al I
0.5302000 1.0000000
Al I
0.2990000 1.0000000
end
basis "Si_aug-cc-pV6Z" SPHERICAL
Si S
4465000.0000000 0.0000017 -0.0000005 0.0000001
668500.0000000 0.0000136 -0.0000036 0.0000009
152200.0000000 0.0000714 -0.0000190 0.0000049
43300.0000000 0.0002973 -0.0000791 0.0000203
14410.0000000 0.0010383 -0.0002769 0.0000709
5394.0000000 0.0031747 -0.0008472 0.0002172
2212.0000000 0.0087324 -0.0023478 0.0006013
968.1000000 0.0223830 -0.0060705 0.0015591
441.2000000 0.0537273 -0.0149711 0.0038443
207.1000000 0.1166490 -0.0339729 0.0087797
99.8000000 0.2159780 -0.0694584 0.0180388
49.2400000 0.3095660 -0.1190010 0.0315224
24.7400000 0.2839450 -0.1536450 0.0416905
12.4700000 0.1222320 -0.0704684 0.0200973
5.7950000 0.0141952 0.2131490 -0.0667484
2.8300000 0.0003121 0.4915960 -0.1819060
Si S
1.4070000 1.0000000
Si S
0.6995000 1.0000000
Si S
0.3083000 1.0000000
Si S
0.1385000 1.0000000
Si S
0.0614500 1.0000000
Si S
0.0253900 1.0000000
Si P
3572.0000000 0.0000599 -0.0000128
846.0000000 0.0005296 -0.0001126
274.8000000 0.0029958 -0.0006402
105.0000000 0.0126335 -0.0027029
44.3500000 0.0419044 -0.0090789
20.0800000 0.1102590 -0.0242348
9.5300000 0.2188310 -0.0493460
4.6340000 0.3178280 -0.0725859
2.2800000 0.3194250 -0.0804258
Si P
1.1160000 1.0000000
Si P
0.4991000 1.0000000
Si P
0.2254000 1.0000000
Si P
0.1001000 1.0000000
Si P
0.0433200 1.0000000
Si P
0.0169400 1.0000000
Si D
3.2386000 1.0000000
Si D
1.3767000 1.0000000
Si D
0.5853000 1.0000000
Si D
0.2488000 1.0000000
Si D
0.1058000 1.0000000
Si D
0.0413900 1.0000000
Si F
1.3510000 1.0000000
Si F
0.6600000 1.0000000
Si F
0.3225000 1.0000000
Si F
0.1575000 1.0000000
Si F
0.0688400 1.0000000
Si G
0.8528000 1.0000000
Si G
0.4631000 1.0000000
Si G
0.2515000 1.0000000
Si G
0.1164000 1.0000000
Si H
0.8557000 1.0000000
Si H
0.4231000 1.0000000
Si H
0.2351000 1.0000000
Si I
0.6946000 1.0000000
Si I
0.4271000 1.0000000
end
basis "P_aug-cc-pV6Z" SPHERICAL
P S
5384000.0000000 0.0000016 -0.0000004 0.0000001
806200.0000000 0.0000128 -0.0000035 0.0000010
183600.0000000 0.0000672 -0.0000183 0.0000050
52250.0000000 0.0002797 -0.0000759 0.0000209
17390.0000000 0.0009767 -0.0002657 0.0000730
6523.0000000 0.0029684 -0.0008080 0.0002221
2687.0000000 0.0081240 -0.0022273 0.0006122
1178.0000000 0.0209200 -0.0057833 0.0015918
536.2000000 0.0505590 -0.0143438 0.0039534
251.5000000 0.1104790 -0.0327061 0.0090572
121.3000000 0.2069570 -0.0673716 0.0187909
59.8800000 0.3047370 -0.1176470 0.0333831
30.0500000 0.2929520 -0.1572800 0.0459484
15.1200000 0.1355610 -0.0838544 0.0255240
7.0100000 0.0173208 0.1997180 -0.0669496
3.4410000 -0.0000352 0.4986050 -0.2036450
P S
1.7120000 1.0000000
P S
0.8337000 1.0000000
P S
0.3912000 1.0000000
P S
0.1777000 1.0000000
P S
0.0793900 1.0000000
P S
0.0322800 1.0000000
P P
4552.0000000 0.0000520 -0.0000124
1078.0000000 0.0004604 -0.0001094
350.1000000 0.0026208 -0.0006256
133.8000000 0.0111873 -0.0026734
56.5200000 0.0378229 -0.0091552
25.5800000 0.1021160 -0.0250993
12.1400000 0.2103140 -0.0531810
5.9020000 0.3173830 -0.0815888
2.9100000 0.3271650 -0.0919725
P P
1.4350000 1.0000000
P P
0.6570000 1.0000000
P P
0.3005000 1.0000000
P P
0.1340000 1.0000000
P P
0.0578300 1.0000000
P P
0.0219700 1.0000000
P D
4.3008000 1.0000000
P D
1.8346000 1.0000000
P D
0.7826000 1.0000000
P D
0.3339000 1.0000000
P D
0.1424000 1.0000000
P D
0.0549200 1.0000000
P F
1.8160000 1.0000000
P F
0.8806000 1.0000000
P F
0.4270000 1.0000000
P F
0.2070000 1.0000000
P F
0.0871000 1.0000000
P G
1.0616000 1.0000000
P G
0.5791000 1.0000000
P G
0.3159000 1.0000000
P G
0.1470000 1.0000000
P H
1.0850000 1.0000000
P H
0.5277000 1.0000000
P H
0.2874000 1.0000000
P I
0.8890000 1.0000000
P I
0.5151000 1.0000000
end
basis "S_aug-cc-pV6Z" SPHERICAL
S S
6297000.0000000 0.0000016 -0.0000004 0.0000001
943100.0000000 0.0000124 -0.0000034 0.0000010
214900.0000000 0.0000649 -0.0000179 0.0000052
61250.0000000 0.0002693 -0.0000744 0.0000216
20450.0000000 0.0009347 -0.0002587 0.0000751
7719.0000000 0.0028083 -0.0007777 0.0002258
3198.0000000 0.0076740 -0.0021396 0.0006217
1402.0000000 0.0198898 -0.0055906 0.0016251
637.2000000 0.0482589 -0.0139076 0.0040535
298.9000000 0.1057570 -0.0317689 0.0092902
144.3000000 0.2002230 -0.0659302 0.0194561
71.2100000 0.3007280 -0.1168320 0.0350040
35.7300000 0.2986880 -0.1597870 0.0494897
17.9700000 0.1463470 -0.0945322 0.0303443
8.3410000 0.0201159 0.1878280 -0.0663661
4.1120000 -0.0002488 0.5046830 -0.2231540
S S
2.0450000 1.0000000
S S
0.9770000 1.0000000
S S
0.4766000 1.0000000
S S
0.2185000 1.0000000
S S
0.0975900 1.0000000
S S
0.0389300 1.0000000
S P
5266.0000000 0.0000523 -0.0000133
1247.0000000 0.0004635 -0.0001179
405.0000000 0.0026410 -0.0006759
154.8000000 0.0113169 -0.0028973
65.3800000 0.0384704 -0.0099980
29.5900000 0.1043390 -0.0275416
14.0400000 0.2156840 -0.0587943
6.8240000 0.3252600 -0.0903761
3.3690000 0.3261780 -0.0999891
S P
1.6660000 1.0000000
S P
0.7681000 1.0000000
S P
0.3504000 1.0000000
S P
0.1556000 1.0000000
S P
0.0668100 1.0000000
S P
0.0264800 1.0000000
S D
5.0755000 1.0000000
S D
2.1833000 1.0000000
S D
0.9392000 1.0000000
S D
0.4040000 1.0000000
S D
0.1738000 1.0000000
S D
0.0698600 1.0000000
S F
2.2120000 1.0000000
S F
1.0630000 1.0000000
S F
0.5100000 1.0000000
S F
0.2450000 1.0000000
S F
0.1100000 1.0000000
S G
1.3473000 1.0000000
S G
0.7009000 1.0000000
S G
0.3647000 1.0000000
S G
0.1799000 1.0000000
S H
1.2861000 1.0000000
S H
0.6115000 1.0000000
S H
0.3465000 1.0000000
S I
1.0409000 1.0000000
S I
0.6222000 1.0000000
end
basis "Cl_aug-cc-pV6Z" SPHERICAL
Cl S
7733000.0000000 0.14347400E-05 -0.40222700E-06 0.12169600E-06
1158000.0000000 0.11148600E-04 -0.31244800E-05 0.94514100E-06
263700.0000000 0.58586500E-04 -0.16429000E-04 0.49711900E-05
75010.0000000 0.24451800E-03 -0.68542100E-04 0.20732300E-04
24890.0000000 0.85828700E-03 -0.24100100E-03 0.72940200E-04
9318.0000000 0.26101900E-02 -0.73353800E-03 0.22189900E-03
3840.0000000 0.71378400E-02 -0.20183000E-02 0.61135500E-03
1684.0000000 0.18456400E-01 -0.52610700E-02 0.15933700E-02
766.3000000 0.44894400E-01 -0.13098600E-01 0.39800100E-02
359.5000000 0.99382200E-01 -0.30179400E-01 0.91937500E-02
173.4000000 0.19078200 -0.63188800E-01 0.19439900E-01
85.6100000 0.29356500 -0.11385900 0.35518700E-01
42.9300000 0.30647700 -0.16125100 0.52067400E-01
21.5500000 0.16220900 -0.10923400 0.36564400E-01
10.0500000 0.24938300E-01 0.16299900 -0.59750000E-01
4.9780000 -0.51314200E-03 0.50141300 -0.23164100
Cl S
2.4780000 1.0000000
Cl S
1.1800000 1.0000000
Cl S
0.5828000 1.0000000
Cl S
0.2668000 1.0000000
Cl S
0.1183000 1.0000000
Cl S
0.0462500 1.0000000
Cl P
6091.0000000 0.51619400E-04 -0.13925900E-04
1442.0000000 0.45846800E-03 -0.12332400E-03
468.3000000 0.26150900E-02 -0.70755100E-03
179.0000000 0.11255400E-01 -0.30493900E-02
75.6100000 0.38457700E-01 -0.10575200E-01
34.2200000 0.10508100E+00 -0.29409400E-01
16.2300000 0.21860300E+00 -0.63229600E-01
7.8900000 0.33087400E+00 -0.98187000E-01
3.8980000 0.32587900E+00 -0.10587000E+00
Cl P
1.9330000 1.0000000
Cl P
0.9057000 1.0000000
Cl P
0.4140000 1.0000000
Cl P
0.1836000 1.0000000
Cl P
0.0785900 1.0000000
Cl P
0.0316300 1.0000000
Cl D
6.2428000 1.0000000
Cl D
2.6906000 1.0000000
Cl D
1.1596000 1.0000000
Cl D
0.4998000 1.0000000
Cl D
0.2154000 1.0000000
Cl D
0.0888500 1.0000000
Cl F
2.5327000 1.0000000
Cl F
1.2406000 1.0000000
Cl F
0.6077000 1.0000000
Cl F
0.2977000 1.0000000
Cl F
0.1465000 1.0000000
Cl G
1.5388000 1.0000000
Cl G
0.8050000 1.0000000
Cl G
0.4212000 1.0000000
Cl G
0.2177000 1.0000000
Cl H
1.5613000 1.0000000
Cl H
0.7397000 1.0000000
Cl H
0.4365000 1.0000000
Cl I
1.2572000 1.0000000
Cl I
0.8074000 1.0000000
end
basis "Ar_aug-cc-pV6Z" SPHERICAL
Ar S
9149000.0000000 0.0000013 -0.0000004 0.0000001
1370000.0000000 0.0000104 -0.0000030 0.0000009
311900.0000000 0.0000549 -0.0000156 0.0000049
88650.0000000 0.0002296 -0.0000652 0.0000204
29330.0000000 0.0008103 -0.0002304 0.0000720
10930.0000000 0.0024853 -0.0007075 0.0002210
4480.0000000 0.0068369 -0.0019573 0.0006125
1962.0000000 0.0176199 -0.0050856 0.0015908
894.1000000 0.0428752 -0.0126528 0.0039722
419.6000000 0.0954853 -0.0293065 0.0092204
202.3000000 0.1850640 -0.0617712 0.0196367
99.8400000 0.2890420 -0.1125410 0.0362570
50.0700000 0.3101660 -0.1622930 0.0541725
25.1400000 0.1721830 -0.1184120 0.0409996
11.8100000 0.0285227 0.1461480 -0.0551744
5.8820000 -0.0005757 0.4977520 -0.2387540
Ar S
2.9390000 1.0000000
Ar S
1.4050000 1.0000000
Ar S
0.6963000 1.0000000
Ar S
0.3188000 1.0000000
Ar S
0.1410000 1.0000000
Ar S
0.0535700 1.0000000
Ar P
7050.0000000 0.0000502 -0.0000140
1669.0000000 0.0004454 -0.0001243
542.1000000 0.0025480 -0.0007147
207.1000000 0.0110155 -0.0030968
87.5200000 0.0378490 -0.0107961
39.6100000 0.1043550 -0.0303536
18.7800000 0.2193350 -0.0659785
9.1300000 0.3346150 -0.1038770
4.5160000 0.3267710 -0.1099560
Ar P
2.2450000 1.0000000
Ar P
1.0650000 1.0000000
Ar P
0.4885000 1.0000000
Ar P
0.2166000 1.0000000
Ar P
0.0925500 1.0000000
Ar P
0.0367800 1.0000000
Ar D
7.6327000 1.0000000
Ar D
3.2876000 1.0000000
Ar D
1.4160000 1.0000000
Ar D
0.6099000 1.0000000
Ar D
0.2627000 1.0000000
Ar D
0.1078000 1.0000000
Ar F
3.0582000 1.0000000
Ar F
1.5292000 1.0000000
Ar F
0.7647000 1.0000000
Ar F
0.3824000 1.0000000
Ar F
0.1830000 1.0000000
Ar G
1.8450000 1.0000000
Ar G
0.9657000 1.0000000
Ar G
0.5055000 1.0000000
Ar G
0.2555000 1.0000000
Ar H
1.8743000 1.0000000
Ar H
0.8871000 1.0000000
Ar H
0.5265000 1.0000000
Ar I
1.5066000 1.0000000
Ar I
0.9926000 1.0000000
end
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