/usr/share/nwchem/libraries/cc-pvqz-f12 is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# H He B C N O F Ne Al Si P S Cl Ar: K.A. Peterson, T.B. Adler, and H.-J. Werner, Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B?Ne, and Al?Ar, Journal of Chemical Physics 128, 084102 (2008).
# Li Be Na Mg: J. Grant Hill and Kirk A. Peterson, Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg, Physical Chemistry Chemical Physics 12, 10460 (2010).
#
basis "H_cc-pVQZ-F12" SPHERICAL
H S
402.0000000 0.0002790
60.2400000 0.0021650
13.7300000 0.0112010
3.9050000 0.0448780
H S
1.2830000 1.0000000
H S
0.4655000 1.0000000
H S
0.1811000 1.0000000
H S
0.0727900 1.0000000
H P
3.2599000 1.0000000
H P
1.2389000 1.0000000
H P
0.4708000 1.0000000
H P
0.1789000 1.0000000
H D
1.1111000 1.0000000
H D
0.3501000 1.0000000
H F
0.4796000 1.0000000
end
basis "He_cc-pVQZ-F12" SPHERICAL
He S
1145.0000000 0.0003590
171.7000000 0.0027710
39.0700000 0.0142510
11.0400000 0.0555660
He S
3.5660000 1.0000000
He S
1.2400000 1.0000000
He S
0.4473000 1.0000000
He S
0.1640000 1.0000000
He S
0.0466400 1.0000000
He P
7.6678000 1.0000000
He P
2.7651000 1.0000000
He P
0.9971000 1.0000000
He P
0.3596000 1.0000000
He D
0.9239000 1.0000000
He D
0.4420000 1.0000000
He F
0.7445000 1.0000000
end
basis "Li_cc-pVQZ-F12" SPHERICAL
Li S
29493.0000000 0.0000180 -0.0000030
4417.1010000 0.0001410 -0.0000220
1005.2230000 0.0007390 -0.0001150
284.7009000 0.0031070 -0.0004870
92.8654300 0.0111350 -0.0017460
33.5117900 0.0346700 -0.0055200
13.0418000 0.0921710 -0.0149280
5.3575360 0.1995760 -0.0342060
2.2793380 0.3288360 -0.0621550
0.9939900 0.3459750 -0.0959020
Li S
0.4334710 1.0000000
Li S
0.0955660 1.0000000
Li S
0.0446570 1.0000000
Li S
0.0206330 1.0000000
Li S
0.0061000 1.0000000
Li P
19.6635000 0.0005400
4.6231100 0.0038650
1.4137800 0.0151710
Li P
0.4737210 1.0000000
Li P
0.1761510 1.0000000
Li P
0.0726750 1.0000000
Li P
0.0321410 1.0000000
Li P
0.0145560 1.0000000
Li P
0.0065000 1.0000000
Li D
0.3263570 1.0000000
Li D
0.1778360 1.0000000
Li D
0.0969050 1.0000000
Li D
0.0528040 1.0000000
Li F
0.2076280 1.0000000
Li F
0.1211940 1.0000000
Li F
0.0707420 1.0000000
Li G
0.1961340 1.0000000
Li G
0.1087330 1.0000000
end
basis "Be_cc-pVQZ-F12" SPHERICAL
Be S
54620.0000000 0.0000180 -0.0000030
8180.0000000 0.0001380 -0.0000250
1862.0000000 0.0007230 -0.0001310
527.3000000 0.0030390 -0.0005580
172.0000000 0.0109080 -0.0019880
62.1000000 0.0340350 -0.0063700
24.2100000 0.0911930 -0.0172170
9.9930000 0.1992680 -0.0408580
4.3050000 0.3293550 -0.0742370
1.9210000 0.3404890 -0.1192340
Be S
0.8663000 1.0000000
Be S
0.2475000 1.0000000
Be S
0.1009000 1.0000000
Be S
0.0412900 1.0000000
Be S
0.0128000 1.0000000
Be P
43.7500000 0.0006330
10.3300000 0.0048080
3.2260000 0.0205270
Be P
1.1270000 1.0000000
Be P
0.4334000 1.0000000
Be P
0.1808000 1.0000000
Be P
0.0782700 1.0000000
Be P
0.0337200 1.0000000
Be P
0.0076000 1.0000000
Be D
1.0268220 1.0000000
Be D
0.4838920 1.0000000
Be D
0.2280350 1.0000000
Be D
0.1074620 1.0000000
Be F
0.4386940 1.0000000
Be F
0.2302230 1.0000000
Be F
0.1208200 1.0000000
Be G
0.3436160 1.0000000
Be G
0.1673590 1.0000000
end
basis "B_cc-pVQZ-F12" SPHERICAL
B S
68260.0000000 0.0000240 -0.0000050
10230.0000000 0.0001850 -0.0000370
2328.0000000 0.0009700 -0.0001960
660.4000000 0.0040560 -0.0008240
216.2000000 0.0143990 -0.0029230
78.6000000 0.0439010 -0.0091380
30.9800000 0.1130570 -0.0241050
12.9600000 0.2338250 -0.0547550
5.6590000 0.3539600 -0.0969430
2.5560000 0.3015470 -0.1374850
B S
1.1750000 1.0000000
B S
0.4249000 1.0000000
B S
0.1712000 1.0000000
B S
0.0691300 1.0000000
B S
0.0261000 1.0000000
B P
66.4400000 0.0008380
15.7100000 0.0064090
4.9360000 0.0280810
B P
1.7700000 1.0000000
B P
0.7008000 1.0000000
B P
0.2901000 1.0000000
B P
0.1211000 1.0000000
B P
0.0497300 1.0000000
B P
0.0157000 1.0000000
B D
2.5278000 1.0000000
B D
0.9852000 1.0000000
B D
0.3840000 1.0000000
B D
0.1497000 1.0000000
B F
1.1401000 1.0000000
B F
0.4313000 1.0000000
B F
0.1631000 1.0000000
B G
0.9375000 1.0000000
B G
0.3306000 1.0000000
end
basis "C_cc-pVQZ-F12" SPHERICAL
C S
96770.0000000 0.0000250 -0.0000050
14500.0000000 0.0001900 -0.0000410
3300.0000000 0.0010000 -0.0002130
935.8000000 0.0041830 -0.0008970
306.2000000 0.0148590 -0.0031870
111.3000000 0.0453010 -0.0099610
43.9000000 0.1165040 -0.0263750
18.4000000 0.2402490 -0.0600010
8.0540000 0.3587990 -0.1068250
3.6370000 0.2939410 -0.1441660
C S
1.6560000 1.0000000
C S
0.6333000 1.0000000
C S
0.2545000 1.0000000
C S
0.1019000 1.0000000
C S
0.0394000 1.0000000
C P
101.8000000 0.0008910
24.0400000 0.0069760
7.5710000 0.0316690
C P
2.7320000 1.0000000
C P
1.0850000 1.0000000
C P
0.4496000 1.0000000
C P
0.1876000 1.0000000
C P
0.0760600 1.0000000
C P
0.0272000 1.0000000
C D
3.7056000 1.0000000
C D
1.4212000 1.0000000
C D
0.5451000 1.0000000
C D
0.2091000 1.0000000
C F
1.4438000 1.0000000
C F
0.5931000 1.0000000
C F
0.2436000 1.0000000
C G
1.1825000 1.0000000
C G
0.4685000 1.0000000
end
basis "N_cc-pVQZ-F12" SPHERICAL
N S
129200.0000000 0.0000250 -0.0000060
19350.0000000 0.0001970 -0.0000430
4404.0000000 0.0010320 -0.0002270
1248.0000000 0.0043250 -0.0009580
408.0000000 0.0153800 -0.0034160
148.2000000 0.0468670 -0.0106670
58.5000000 0.1201160 -0.0282790
24.5900000 0.2456950 -0.0640200
10.8100000 0.3613790 -0.1139320
4.8820000 0.2872830 -0.1469950
N S
2.1950000 1.0000000
N S
0.8715000 1.0000000
N S
0.3504000 1.0000000
N S
0.1397000 1.0000000
N S
0.0518000 1.0000000
N P
147.0000000 0.0008920
34.7600000 0.0070820
11.0000000 0.0328160
N P
3.9950000 1.0000000
N P
1.5870000 1.0000000
N P
0.6533000 1.0000000
N P
0.2686000 1.0000000
N P
0.1067000 1.0000000
N P
0.0369000 1.0000000
N D
5.9817000 1.0000000
N D
2.2056000 1.0000000
N D
0.8133000 1.0000000
N D
0.2999000 1.0000000
N F
2.4728000 1.0000000
N F
0.9819000 1.0000000
N F
0.3899000 1.0000000
N G
1.3975000 1.0000000
N G
0.5027000 1.0000000
end
basis "O_cc-pVQZ-F12" SPHERICAL
O S
164200.0000000 0.0000260 -0.0000060
24590.0000000 0.0002050 -0.0000460
5592.0000000 0.0010760 -0.0002440
1582.0000000 0.0045220 -0.0010310
516.1000000 0.0161080 -0.0036880
187.2000000 0.0490850 -0.0115140
73.9300000 0.1248570 -0.0304350
31.2200000 0.2516860 -0.0681470
13.8100000 0.3624200 -0.1203680
6.2560000 0.2790510 -0.1482600
O S
2.7760000 1.0000000
O S
1.1380000 1.0000000
O S
0.4600000 1.0000000
O S
0.1829000 1.0000000
O S
0.0655000 1.0000000
O P
195.5000000 0.0009180
46.1600000 0.0073880
14.5800000 0.0349580
O P
5.2960000 1.0000000
O P
2.0940000 1.0000000
O P
0.8471000 1.0000000
O P
0.3368000 1.0000000
O P
0.1285000 1.0000000
O P
0.0446000 1.0000000
O D
7.6720000 1.0000000
O D
2.8205000 1.0000000
O D
1.0369000 1.0000000
O D
0.3812000 1.0000000
O F
3.5028000 1.0000000
O F
1.2802000 1.0000000
O F
0.4679000 1.0000000
O G
1.5880000 1.0000000
O G
0.5836000 1.0000000
end
basis "F_cc-pVQZ-F12" SPHERICAL
F S
211400.0000000 0.0000260 -0.0000060
31660.0000000 0.0002010 -0.0000470
7202.0000000 0.0010560 -0.0002440
2040.0000000 0.0044320 -0.0010310
666.4000000 0.0157660 -0.0036830
242.0000000 0.0481120 -0.0115130
95.5300000 0.1232320 -0.0306630
40.2300000 0.2515190 -0.0695720
17.7200000 0.3645250 -0.1239920
8.0050000 0.2797660 -0.1502140
F S
3.5380000 1.0000000
F S
1.4580000 1.0000000
F S
0.5887000 1.0000000
F S
0.2324000 1.0000000
F S
0.0806000 1.0000000
F P
241.9000000 0.0010020
57.1700000 0.0080540
18.1300000 0.0380480
F P
6.6240000 1.0000000
F P
2.6220000 1.0000000
F P
1.0570000 1.0000000
F P
0.4176000 1.0000000
F P
0.1574000 1.0000000
F P
0.0550000 1.0000000
F D
9.2778000 1.0000000
F D
3.2485000 1.0000000
F D
1.1375000 1.0000000
F D
0.3983000 1.0000000
F F
4.5969000 1.0000000
F F
1.6112000 1.0000000
F F
0.5647000 1.0000000
F G
2.1149000 1.0000000
F G
0.7640000 1.0000000
end
basis "Ne_cc-pVQZ-F12" SPHERICAL
Ne S
262700.0000000 0.0000260 -0.0000060
39350.0000000 0.0002000 -0.0000470
8955.0000000 0.0010500 -0.0002470
2538.0000000 0.0044000 -0.0010380
829.9000000 0.0156490 -0.0037110
301.5000000 0.0477580 -0.0115930
119.0000000 0.1229430 -0.0310860
50.0000000 0.2524830 -0.0709720
21.9800000 0.3663140 -0.1272660
9.8910000 0.2796170 -0.1512310
Ne S
4.3270000 1.0000000
Ne S
1.8040000 1.0000000
Ne S
0.7288000 1.0000000
Ne S
0.2867000 1.0000000
Ne S
0.0957000 1.0000000
Ne P
299.1000000 0.0010380
70.7300000 0.0083750
22.4800000 0.0396930
Ne P
8.2460000 1.0000000
Ne P
3.2690000 1.0000000
Ne P
1.3150000 1.0000000
Ne P
0.5158000 1.0000000
Ne P
0.1918000 1.0000000
Ne P
0.0654000 1.0000000
Ne D
11.9220000 1.0000000
Ne D
4.0799000 1.0000000
Ne D
1.3963000 1.0000000
Ne D
0.4778000 1.0000000
Ne F
7.1249000 1.0000000
Ne F
2.3230000 1.0000000
Ne F
0.7574000 1.0000000
Ne G
4.4685000 1.0000000
Ne G
0.9718000 1.0000000
end
basis "Na_cc-pVQZ-F12" SPHERICAL
Na S
2185572.0000000 0.0000020 -0.0000010 0.0000000
327228.4000000 0.0000180 -0.0000040 0.0000010
74466.8400000 0.0000950 -0.0000230 0.0000030
21093.1500000 0.0004010 -0.0000980 0.0000150
6881.8980000 0.0014590 -0.0003570 0.0000540
2484.6960000 0.0047460 -0.0011650 0.0001750
969.2232000 0.0140310 -0.0034640 0.0005200
402.0643000 0.0377330 -0.0094950 0.0014310
175.3545000 0.0907020 -0.0235870 0.0035540
79.6519900 0.1864660 -0.0523940 0.0079540
37.3867200 0.3018370 -0.0980280 0.0149550
18.0019400 0.3238300 -0.1436730 0.0224720
8.7243710 0.1687000 -0.1022980 0.0162050
3.8577150 0.0230830 0.1380290 -0.0235500
1.8156860 -0.0001470 0.4290060 -0.0801200
0.8382540 0.0010990 0.4478130 -0.1129210
Na S
0.3819350 1.0000000
Na S
0.0716790 1.0000000
Na S
0.0339160 1.0000000
Na S
0.0165250 1.0000000
Na S
0.0051000 1.0000000
Na P
1119.5780000 0.0001620 -0.0000160
265.3239000 0.0014080 -0.0001400
85.9955300 0.0075860 -0.0007540
32.5375900 0.0296150 -0.0029680
13.5156500 0.0884770 -0.0089190
5.9668560 0.1955190 -0.0200290
2.7000450 0.3066210 -0.0313800
1.2185120 0.3412420 -0.0364890
0.5421870 0.2296900 -0.0296250
Na P
0.2274130 1.0000000
Na P
0.1330400 1.0000000
Na P
0.0575770 1.0000000
Na P
0.0259710 1.0000000
Na P
0.0119010 1.0000000
Na P
0.0055000 1.0000000
Na D
1.5223140 1.0000000
Na D
0.2353140 1.0000000
Na D
0.1361410 1.0000000
Na D
0.0787640 1.0000000
Na D
0.0455690 1.0000000
Na F
0.1811270 1.0000000
Na F
0.1092000 1.0000000
Na F
0.0658360 1.0000000
Na G
0.1578580 1.0000000
Na G
0.0916070 1.0000000
end
basis "Mg_cc-pVQZ-F12" SPHERICAL
Mg S
2968000.0000000 0.0000020 -0.0000005 0.0000001
444300.0000000 0.0000153 -0.0000039 0.0000007
101100.0000000 0.0000807 -0.0000204 0.0000039
28640.0000000 0.0003408 -0.0000862 0.0000166
9343.0000000 0.0012419 -0.0003142 0.0000606
3373.0000000 0.0040412 -0.0010258 0.0001973
1316.0000000 0.0119797 -0.0030582 0.0005909
545.8000000 0.0324253 -0.0084106 0.0016190
238.1000000 0.0789332 -0.0211202 0.0040976
108.2000000 0.1665750 -0.0476882 0.0092299
50.8000000 0.2828710 -0.0924119 0.0182168
24.4800000 0.3318900 -0.1425480 0.0282884
11.9300000 0.2032870 -0.1261680 0.0265059
5.5430000 0.0382897 0.0715282 -0.0172053
2.6750000 0.0003089 0.3830390 -0.0885917
1.2630000 0.0013891 0.4901330 -0.1638710
Mg S
0.5883000 1.0000000
Mg S
0.1496000 1.0000000
Mg S
0.0670000 1.0000000
Mg S
0.0295200 1.0000000
Mg S
0.0108000 1.0000000
Mg P
1441.0000000 0.0001524 -0.0000241
341.4000000 0.0013276 -0.0002108
110.7000000 0.0072194 -0.0011453
41.9700000 0.0285205 -0.0045642
17.4900000 0.0865346 -0.0139603
7.7530000 0.1949500 -0.0321105
3.5340000 0.3120510 -0.0516217
1.6140000 0.3484760 -0.0613713
0.7299000 0.2188860 -0.0442465
Mg P
0.3029000 1.0000000
Mg P
0.1583000 1.0000000
Mg P
0.0819000 1.0000000
Mg P
0.0412300 1.0000000
Mg P
0.0198800 1.0000000
Mg P
0.0071000 1.0000000
Mg D
2.0430440 1.0000000
Mg D
0.3561520 1.0000000
Mg D
0.2040720 1.0000000
Mg D
0.1169320 1.0000000
Mg D
0.0670010 1.0000000
Mg F
0.3323210 1.0000000
Mg F
0.1782230 1.0000000
Mg F
0.0943160 1.0000000
Mg G
0.2675410 1.0000000
Mg G
0.1341470 1.0000000
end
basis "Al_cc-pVQZ-F12" SPHERICAL
Al S
3269000.0000000 0.0000021 -0.0000006 0.0000001
489400.0000000 0.0000166 -0.0000043 0.0000010
111400.0000000 0.0000875 -0.0000227 0.0000053
31560.0000000 0.0003690 -0.0000960 0.0000221
10320.0000000 0.0013390 -0.0003484 0.0000805
3731.0000000 0.0043564 -0.0011384 0.0002625
1456.0000000 0.0128955 -0.0033874 0.0007842
604.1000000 0.0348201 -0.0093151 0.0021504
263.5000000 0.0843530 -0.0233023 0.0054197
119.8000000 0.1759070 -0.0523486 0.0121686
56.3200000 0.2920910 -0.0999499 0.0236823
27.1900000 0.3282200 -0.1505600 0.0360937
13.2600000 0.1869270 -0.1191210 0.0303284
6.0520000 0.0310430 0.1080910 -0.0309034
2.9810000 -0.0005089 0.4111290 -0.1191260
1.4760000 0.0014884 0.4572140 -0.2111450
Al S
0.7334000 1.0000000
Al S
0.2447000 1.0000000
Al S
0.1088000 1.0000000
Al S
0.0467200 1.0000000
Al S
0.0177000 1.0000000
Al P
1461.0000000 0.0002086 -0.0000372
346.2000000 0.0018100 -0.0003286
112.2000000 0.0097343 -0.0017426
42.5100000 0.0378266 -0.0069483
17.7200000 0.1108980 -0.0202807
7.8520000 0.2342950 -0.0448657
3.5710000 0.3452450 -0.0643278
Al P
1.6370000 1.0000000
Al P
0.7382000 1.0000000
Al P
0.2577000 1.0000000
Al P
0.0977300 1.0000000
Al P
0.0369000 1.0000000
Al P
0.0115000 1.0000000
Al D
5.1994000 1.0000000
Al D
1.4792000 1.0000000
Al D
0.5997000 1.0000000
Al D
0.2431000 1.0000000
Al D
0.0986000 1.0000000
Al F
0.7833000 1.0000000
Al F
0.2862000 1.0000000
Al F
0.1157000 1.0000000
Al G
0.3765000 1.0000000
Al G
0.1461000 1.0000000
end
basis "Si_cc-pVQZ-F12" SPHERICAL
Si S
3948000.0000000 0.0000020 -0.0000005 0.0000001
591100.0000000 0.0000158 -0.0000042 0.0000011
134500.0000000 0.0000834 -0.0000222 0.0000057
38120.0000000 0.0003514 -0.0000936 0.0000240
12460.0000000 0.0012766 -0.0003401 0.0000872
4504.0000000 0.0041519 -0.0011106 0.0002842
1758.0000000 0.0123030 -0.0033088 0.0008498
729.1000000 0.0333102 -0.0091160 0.0023353
318.0000000 0.0809845 -0.0228790 0.0059047
144.6000000 0.1702900 -0.0517119 0.0133461
67.9700000 0.2868790 -0.0999091 0.0262889
32.8200000 0.3303400 -0.1527470 0.0407426
16.0300000 0.1966020 -0.1275080 0.0361476
7.3960000 0.0354535 0.0946963 -0.0303923
3.6610000 -0.0005352 0.4140360 -0.1359610
1.8230000 0.0016147 0.4679340 -0.2501440
Si S
0.9147000 1.0000000
Si S
0.3393000 1.0000000
Si S
0.1500000 1.0000000
Si S
0.0643800 1.0000000
Si S
0.0260000 1.0000000
Si P
1780.0000000 0.0002012 -0.0000427
421.8000000 0.0017494 -0.0003770
136.7000000 0.0094814 -0.0020224
51.8100000 0.0372313 -0.0081283
21.6000000 0.1107630 -0.0242272
9.5630000 0.2379330 -0.0543825
4.3500000 0.3536910 -0.0799051
Si P
2.0060000 1.0000000
Si P
0.9205000 1.0000000
Si P
0.3500000 1.0000000
Si P
0.1381000 1.0000000
Si P
0.0533800 1.0000000
Si P
0.0192000 1.0000000
Si D
6.8580000 1.0000000
Si D
1.9557000 1.0000000
Si D
0.7786000 1.0000000
Si D
0.3100000 1.0000000
Si D
0.1234000 1.0000000
Si F
1.1785000 1.0000000
Si F
0.3987000 1.0000000
Si F
0.1632000 1.0000000
Si G
0.5466000 1.0000000
Si G
0.2134000 1.0000000
end
basis "P_cc-pVQZ-F12" SPHERICAL
P S
4666000.0000000 0.0000020 -0.0000005 0.0000001
698600.0000000 0.0000153 -0.0000042 0.0000011
159000.0000000 0.0000805 -0.0000218 0.0000060
45040.0000000 0.0003397 -0.0000923 0.0000253
14720.0000000 0.0012329 -0.0003351 0.0000922
5323.0000000 0.0040135 -0.0010951 0.0003006
2076.0000000 0.0119124 -0.0032680 0.0008999
861.1000000 0.0322511 -0.0089995 0.0024735
375.7000000 0.0786643 -0.0226528 0.0062681
170.8000000 0.1664580 -0.0514650 0.0142598
80.2900000 0.2830390 -0.1001860 0.0282769
38.7700000 0.3319420 -0.1550750 0.0445124
18.9300000 0.2033520 -0.1338180 0.0407217
8.7960000 0.0383183 0.0878361 -0.0301908
4.3580000 -0.0003847 0.4225810 -0.1528940
2.1740000 0.0015874 0.4748990 -0.2824110
P S
1.0950000 1.0000000
P S
0.4400000 1.0000000
P S
0.1945000 1.0000000
P S
0.0837600 1.0000000
P S
0.0335000 1.0000000
P P
2010.0000000 0.0002159 -0.0000511
476.3000000 0.0018754 -0.0004484
154.4000000 0.0101742 -0.0024234
58.5100000 0.0399856 -0.0096983
24.4000000 0.1185630 -0.0290965
10.8000000 0.2518160 -0.0641726
4.9130000 0.3665650 -0.0945071
P P
2.2690000 1.0000000
P P
1.0430000 1.0000000
P P
0.4313000 1.0000000
P P
0.1767000 1.0000000
P P
0.0700900 1.0000000
P P
0.0253000 1.0000000
P D
9.5221000 1.0000000
P D
2.7994000 1.0000000
P D
1.0799000 1.0000000
P D
0.4166000 1.0000000
P D
0.1607000 1.0000000
P F
1.5054000 1.0000000
P F
0.4902000 1.0000000
P F
0.2026000 1.0000000
P G
0.6431000 1.0000000
P G
0.2573000 1.0000000
end
basis "S_cc-pVQZ-F12" SPHERICAL
S S
5481000.0000000 0.0000019 -0.0000005 0.0000002
820600.0000000 0.0000147 -0.0000041 0.0000012
186700.0000000 0.0000775 -0.0000214 0.0000062
52880.0000000 0.0003272 -0.0000905 0.0000262
17250.0000000 0.0011936 -0.0003301 0.0000959
6226.0000000 0.0038839 -0.0010778 0.0003127
2429.0000000 0.0115336 -0.0032187 0.0009363
1007.0000000 0.0312748 -0.0088722 0.0025779
439.5000000 0.0764387 -0.0223771 0.0065412
199.8000000 0.1627000 -0.0510577 0.0149630
93.9200000 0.2793280 -0.1002250 0.0298940
45.3400000 0.3331450 -0.1567950 0.0476946
22.1500000 0.2098360 -0.1397480 0.0449556
10.3400000 0.0415974 0.0810059 -0.0293009
5.1190000 -0.0004506 0.4308830 -0.1689160
2.5530000 0.0016886 0.4816880 -0.3110140
S S
1.2820000 1.0000000
S S
0.5450000 1.0000000
S S
0.2411000 1.0000000
S S
0.1035000 1.0000000
S S
0.0420000 1.0000000
S P
2200.0000000 0.0002390 -0.0000609
521.4000000 0.0020769 -0.0005304
169.0000000 0.0112363 -0.0028792
64.0500000 0.0440690 -0.0114397
26.7200000 0.1291680 -0.0342764
11.8300000 0.2690830 -0.0735811
5.3780000 0.3786110 -0.1077820
S P
2.4820000 1.0000000
S P
1.1160000 1.0000000
S P
0.4848000 1.0000000
S P
0.2006000 1.0000000
S P
0.0795100 1.0000000
S P
0.0294000 1.0000000
S D
12.6050000 1.0000000
S D
3.6852000 1.0000000
S D
1.3715000 1.0000000
S D
0.5104000 1.0000000
S D
0.1900000 1.0000000
S F
3.7749000 1.0000000
S F
0.7091000 1.0000000
S F
0.2737000 1.0000000
S G
0.7756000 1.0000000
S G
0.3116000 1.0000000
end
basis "Cl_cc-pVQZ-F12" SPHERICAL
Cl S
6410000.0000000 0.0000018 -0.0000005 0.0000002
959600.0000000 0.0000141 -0.0000040 0.0000012
218300.0000000 0.0000742 -0.0000208 0.0000063
61810.0000000 0.0003141 -0.0000881 0.0000266
20140.0000000 0.0011464 -0.0003217 0.0000974
7264.0000000 0.0037389 -0.0010528 0.0003184
2832.0000000 0.0110946 -0.0031418 0.0009524
1175.0000000 0.0301152 -0.0086636 0.0026243
512.6000000 0.0739145 -0.0219353 0.0066816
233.0000000 0.1582580 -0.0502584 0.0153595
109.5000000 0.2747530 -0.0995414 0.0309432
52.8600000 0.3340660 -0.1576470 0.0500638
25.8400000 0.2175890 -0.1460240 0.0489782
12.1700000 0.0457278 0.0692230 -0.0260807
6.0300000 -0.0001347 0.4304120 -0.1784260
3.0120000 0.0016393 0.4908020 -0.3323240
Cl S
1.5110000 1.0000000
Cl S
0.6604000 1.0000000
Cl S
0.2926000 1.0000000
Cl S
0.1254000 1.0000000
Cl S
0.0479000 1.0000000
Cl P
2548.0000000 0.0002357 -0.0000635
603.7000000 0.0020516 -0.0005533
195.6000000 0.0111543 -0.0030280
74.1500000 0.0439816 -0.0120650
30.9400000 0.1299940 -0.0366348
13.6900000 0.2729590 -0.0790764
6.2290000 0.3836900 -0.1174220
Cl P
2.8780000 1.0000000
Cl P
1.2820000 1.0000000
Cl P
0.5641000 1.0000000
Cl P
0.2348000 1.0000000
Cl P
0.0931200 1.0000000
Cl P
0.0348000 1.0000000
Cl D
15.3850000 1.0000000
Cl D
4.2917000 1.0000000
Cl D
1.5990000 1.0000000
Cl D
0.5957000 1.0000000
Cl D
0.2220000 1.0000000
Cl F
4.6212000 1.0000000
Cl F
0.8242000 1.0000000
Cl F
0.3178000 1.0000000
Cl G
0.8864000 1.0000000
Cl G
0.3618000 1.0000000
end
basis "Ar_cc-pVQZ-F12" SPHERICAL
Ar S
7401000.0000000 0.0000018 -0.0000005 0.0000000
1108000.0000000 0.0000136 -0.0000040 0.0000000
252100.0000000 0.0000716 -0.0000213 0.0000001
71380.0000000 0.0003030 -0.0000902 0.0000004
23260.0000000 0.0011061 -0.0003294 0.0000015
8390.0000000 0.0036068 -0.0010772 0.0000046
3271.0000000 0.0107134 -0.0032189 0.0000155
1357.0000000 0.0291074 -0.0088784 0.0000407
592.0000000 0.0716617 -0.0225545 0.0001313
269.1000000 0.1541440 -0.0518453 0.0003327
126.5000000 0.2704230 -0.1037220 0.0010667
61.0300000 0.3348620 -0.1665950 0.0025721
29.8600000 0.2243470 -0.1601650 0.0048358
14.1700000 0.0500081 0.0623654 -0.0038573
7.0220000 0.0001497 0.4655340 -0.0476125
3.5110000 0.0021037 0.5815640 -0.1829570
Ar S
1.7580000 1.0000000
Ar S
0.7841000 1.0000000
Ar S
0.3480000 1.0000000
Ar S
0.1491000 1.0000000
Ar S
0.0538000 1.0000000
Ar P
2927.0000000 0.0001883 -0.0001502
693.5000000 0.0016429 -0.0013093
224.7000000 0.0089489 -0.0071650
85.1700000 0.0355111 -0.0285723
35.5300000 0.1051470 -0.0860158
15.7300000 0.2215520 -0.1839960
7.1650000 0.3084120 -0.2658440
Ar P
3.3220000 1.0000000
Ar P
1.4780000 1.0000000
Ar P
0.6552000 1.0000000
Ar P
0.2751000 1.0000000
Ar P
0.1097000 1.0000000
Ar P
0.0402000 1.0000000
Ar D
19.0250000 1.0000000
Ar D
5.3638000 1.0000000
Ar D
1.9687000 1.0000000
Ar D
0.7226000 1.0000000
Ar D
0.2652000 1.0000000
Ar F
6.6618000 1.0000000
Ar F
1.0543000 1.0000000
Ar F
0.3893000 1.0000000
Ar G
1.3268000 1.0000000
Ar G
0.4771000 1.0000000
end
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