/usr/share/nwchem/libraries/cc-pcv5z is in nwchem-data 6.6+r27746-2.
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# (cc-pCV5Z)
# --------------------------------------
# Elements Reference
# B - Ne: (18s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h] D. Woon, K. Peterson
# Al- Ar: (20s,12p,8d,6f,4g,2h) -> [7s,6p,4d,3f,2g,1h] K.A. Peterson and T.H.
# Dunning, Jr., J. Chem. Phys. 117,10548 (2002).
# Ca : (26s,18p,12d,6f,4g,2h)-> [12s,10p,9d,6f,4g,2h] J. Koput and K.A.
# Peterson, J. Phys. Chem. A, 106, 9595(2002)
#
basis "B_cc-pCV5Z" 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
6.4110000 1.0000000
B S
14.5210000 1.0000000
B S
32.8900000 1.0000000
B S
74.4960000 1.0000000
B P
66.4400000 0.0008380
15.7100000 0.0064090
4.9360000 0.0280810
1.7700000 0.0921520
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
5.1720000 1.0000000
B P
13.2250000 1.0000000
B P
33.8160000 1.0000000
B P
86.4670000 1.0000000
B D
2.0100000 1.0000000
B D
0.7960000 1.0000000
B D
0.3160000 1.0000000
B D
0.1250000 1.0000000
B D
7.0660000 1.0000000
B D
19.7210000 1.0000000
B D
55.0420000 1.0000000
B F
1.2150000 1.0000000
B F
0.5250000 1.0000000
B F
0.2270000 1.0000000
B F
9.9940000 1.0000000
B F
33.0900000 1.0000000
B G
1.1240000 1.0000000
B G
0.4610000 1.0000000
B G
24.0200000 1.0000000
B H
0.8340000 1.0000000
end
basis "C_cc-pCV5Z" 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
9.1850000 1.0000000
C S
20.7950000 1.0000000
C S
47.0800000 1.0000000
C S
106.5880000 1.0000000
C P
101.8000000 0.0008910
24.0400000 0.0069760
7.5710000 0.0316690
2.7320000 0.1040060
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
7.6680000 1.0000000
C P
19.4840000 1.0000000
C P
49.5100000 1.0000000
C P
125.8040000 1.0000000
C D
3.1340000 1.0000000
C D
1.2330000 1.0000000
C D
0.4850000 1.0000000
C D
0.1910000 1.0000000
C D
10.0090000 1.0000000
C D
28.0650000 1.0000000
C D
78.6950000 1.0000000
C F
2.0060000 1.0000000
C F
0.8380000 1.0000000
C F
0.3500000 1.0000000
C F
11.6930000 1.0000000
C F
41.5690000 1.0000000
C G
1.7530000 1.0000000
C G
0.6780000 1.0000000
C G
32.7800000 1.0000000
C H
1.2590000 1.0000000
end
basis "N_cc-pCV5Z" 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
12.2750000 1.0000000
N S
27.8270000 1.0000000
N S
63.0850000 1.0000000
N S
143.0130000 1.0000000
N P
147.0000000 0.0008920
34.7600000 0.0070820
11.0000000 0.0328160
3.9950000 0.1082090
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
10.7600000 1.0000000
N P
27.1800000 1.0000000
N P
68.6560000 1.0000000
N P
173.4250000 1.0000000
N D
4.6470000 1.0000000
N D
1.8130000 1.0000000
N D
0.7070000 1.0000000
N D
0.2760000 1.0000000
N D
14.0530000 1.0000000
N D
39.0810000 1.0000000
N D
108.6850000 1.0000000
N F
2.9420000 1.0000000
N F
1.2040000 1.0000000
N F
0.4930000 1.0000000
N F
14.3570000 1.0000000
N F
52.6900000 1.0000000
N G
2.5110000 1.0000000
N G
0.9420000 1.0000000
N G
41.1200000 1.0000000
N H
1.7680000 1.0000000
end
basis "O_cc-pCV5Z" 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
15.6450000 1.0000000
O S
35.8740000 1.0000000
O S
82.2590000 1.0000000
O S
188.6200000 1.0000000
O P
195.5000000 0.0009180
46.1600000 0.0073880
14.5800000 0.0349580
5.2960000 0.1154310
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
14.0490000 1.0000000
O P
35.4460000 1.0000000
O P
89.4290000 1.0000000
O P
225.6300000 1.0000000
O D
5.8790000 1.0000000
O D
2.3070000 1.0000000
O D
0.9050000 1.0000000
O D
0.3550000 1.0000000
O D
16.7030000 1.0000000
O D
47.3200000 1.0000000
O D
134.0560000 1.0000000
O F
4.0160000 1.0000000
O F
1.5540000 1.0000000
O F
0.6010000 1.0000000
O F
17.3540000 1.0000000
O F
65.5460000 1.0000000
O G
3.3500000 1.0000000
O G
1.1890000 1.0000000
O G
48.5780000 1.0000000
O H
2.3190000 1.0000000
end
basis "F_cc-pCV5Z" 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
19.8760000 1.0000000
F S
44.8800000 1.0000000
F S
101.3390000 1.0000000
F S
228.8240000 1.0000000
F P
241.9000000 0.0010020
57.1700000 0.0080540
18.1300000 0.0380480
6.6240000 0.1237790
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
17.3060000 1.0000000
F P
43.6630000 1.0000000
F P
110.1620000 1.0000000
F P
277.9380000 1.0000000
F D
7.7600000 1.0000000
F D
3.0320000 1.0000000
F D
1.1850000 1.0000000
F D
0.4630000 1.0000000
F D
21.7310000 1.0000000
F D
60.9550000 1.0000000
F D
170.8900000 1.0000000
F F
5.3980000 1.0000000
F F
2.0780000 1.0000000
F F
0.8000000 1.0000000
F F
22.3370000 1.0000000
F F
82.2900000 1.0000000
F G
4.3380000 1.0000000
F G
1.5130000 1.0000000
F G
49.7270000 1.0000000
F H
2.9950000 1.0000000
end
basis "Ne_cc-pCV5Z" 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
24.3130000 1.0000000
Ne S
54.6800000 1.0000000
Ne S
122.9750000 1.0000000
Ne S
276.5710000 1.0000000
Ne P
299.1000000 0.0010380
70.7300000 0.0083750
22.4800000 0.0396930
8.2460000 0.1280560
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
21.3090000 1.0000000
Ne P
53.7200000 1.0000000
Ne P
135.4280000 1.0000000
Ne P
341.4140000 1.0000000
Ne D
9.8370000 1.0000000
Ne D
3.8440000 1.0000000
Ne D
1.5020000 1.0000000
Ne D
0.5870000 1.0000000
Ne D
27.0440000 1.0000000
Ne D
75.7500000 1.0000000
Ne D
212.1760000 1.0000000
Ne F
7.0900000 1.0000000
Ne F
2.7380000 1.0000000
Ne F
1.0570000 1.0000000
Ne F
28.0290000 1.0000000
Ne F
102.5860000 1.0000000
Ne G
5.4600000 1.0000000
Ne G
1.8800000 1.0000000
Ne G
38.7940000 1.0000000
Ne H
3.7760000 1.0000000
end
basis "Na_cc-pCV5Z" SPHERICAL
Na S
1224000.0000000 0.00000500 -0.00000100 0.00000000
183200.0000000 0.00003700 -0.00000900 0.00000100
41700.0000000 0.00019600 -0.00004800 0.00000700
11810.0000000 0.00082700 -0.00020200 0.00003000
3853.0000000 0.00300300 -0.00073600 0.00011100
1391.0000000 0.00970300 -0.00238700 0.00035900
542.5000000 0.02823400 -0.00705000 0.00106300
224.9000000 0.07320600 -0.01878600 0.00282700
97.9300000 0.16289700 -0.04461500 0.00676700
44.3100000 0.28870800 -0.08977400 0.01364800
20.6500000 0.34682900 -0.14294000 0.02228100
9.7290000 0.20686500 -0.12431500 0.01960100
4.2280000 0.03280100 0.09996500 -0.01677100
1.9690000 -0.00064800 0.41708000 -0.07737300
0.8890000 0.00145900 0.47512300 -0.11350100
Na S
0.3964000 1.0000000
Na S
0.0699300 1.0000000
Na S
0.0328900 1.0000000
Na S
0.0161200 1.0000000
Na S
157.4890000 1.0000000
Na S
27.9270000 1.0000000
Na S
4.9520000 1.0000000
Na S
0.8780000 1.0000000
Na P
413.4000000 0.00090800 -0.00009000
97.9800000 0.00741800 -0.00073900
31.3700000 0.03574600 -0.00357300
11.6200000 0.11852000 -0.01201400
4.6710000 0.26140300 -0.02671800
1.9180000 0.37839500 -0.03927500
0.7775000 0.33463200 -0.03760800
0.3013000 0.12684400 -0.04332300
Na P
0.2275000 1.0000000
Na P
0.0752700 1.0000000
Na P
0.0312600 1.0000000
Na P
0.0134200 1.0000000
Na P
9.8690000 1.0000000
Na P
4.4140000 1.0000000
Na P
1.9740000 1.0000000
Na P
0.8830000 1.0000000
Na D
0.2734000 1.0000000
Na D
0.1538000 1.0000000
Na D
0.0865000 1.0000000
Na D
0.0487000 1.0000000
Na D
14.4010000 1.0000000
Na D
6.1840000 1.0000000
Na D
2.6560000 1.0000000
Na D
1.1400000 1.0000000
Na F
0.4000000 1.0000000
Na F
0.1912000 1.0000000
Na F
0.1036000 1.0000000
Na F
10.5240000 1.0000000
Na F
4.4050000 1.0000000
Na F
1.8440000 1.0000000
Na G
0.4250000 1.0000000
Na G
0.1722000 1.0000000
Na G
7.3260000 1.0000000
Na G
2.7270000 1.0000000
Na H
0.2000000 1.0000000
Na H
5.1330000 1.0000000
end
basis "Mg_cc-pCV5Z" SPHERICAL
Mg S
2968000.0000000 0.197177D-05 -0.498160D-06 0.960175D-07
444300.0000000 0.153362D-04 -0.387563D-05 0.746164D-06
101100.0000000 0.806852D-04 -0.203854D-04 0.393119D-05
28640.0000000 0.340771D-03 -0.861659D-04 0.165812D-04
9343.0000000 0.124194D-02 -0.314176D-03 0.606257D-04
3373.0000000 0.404124D-02 -0.102577D-02 0.197322D-03
1316.0000000 0.119797D-01 -0.305816D-02 0.590881D-03
545.8000000 0.324253D-01 -0.841063D-02 0.161904D-02
238.1000000 0.789332D-01 -0.211202D-01 0.409756D-02
108.2000000 0.166575D+00 -0.476882D-01 0.922989D-02
50.8000000 0.282871D+00 -0.924119D-01 0.182168D-01
24.4800000 0.331890D+00 -0.142548D+00 0.282884D-01
11.9300000 0.203287D+00 -0.126168D+00 0.265059D-01
5.5430000 0.382897D-01 0.715282D-01 -0.172053D-01
2.6750000 0.308916D-03 0.383039D+00 -0.885917D-01
1.2630000 0.138907D-02 0.490133D+00 -0.163871D+00
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
14.3960000 1.0000000
Mg S
8.1290000 1.0000000
Mg S
4.5900000 1.0000000
Mg S
2.5920000 1.0000000
Mg P
1441.0000000 0.152407D-03 -0.241031D-04
341.4000000 0.132764D-02 -0.210809D-03
110.7000000 0.721937D-02 -0.114530D-02
41.9700000 0.285205D-01 -0.456417D-02
17.4900000 0.865346D-01 -0.139603D-01
7.7530000 0.194950D+00 -0.321105D-01
3.5340000 0.312051D+00 -0.516217D-01
1.6140000 0.348476D+00 -0.613713D-01
0.7299000 0.218886D+00 -0.442465D-01
0.3029000 0.435579D-01 0.523191D-01
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
67.7730000 1.0000000
Mg P
24.8870000 1.0000000
Mg P
9.1390000 1.0000000
Mg P
3.3560000 1.0000000
Mg D
0.1100000 1.0000000
Mg D
0.2420000 1.0000000
Mg D
0.5320000 1.0000000
Mg D
1.1710000 1.0000000
Mg D
24.8230000 1.0000000
Mg D
11.8200000 1.0000000
Mg D
5.6290000 1.0000000
Mg D
2.3030000 1.0000000
Mg F
0.1550000 1.0000000
Mg F
0.2640000 1.0000000
Mg F
0.4480000 1.0000000
Mg F
13.0000000 1.0000000
Mg F
5.4710000 1.0000000
Mg F
2.3030000 1.0000000
Mg G
0.2400000 1.0000000
Mg G
0.4440000 1.0000000
Mg G
9.3890000 1.0000000
Mg G
3.5300000 1.0000000
Mg H
0.3750000 1.0000000
Mg H
6.7210000 1.0000000
end
basis "Al_cc-pCV5Z" SPHERICAL
Al S
3269000.0000000 0.0000021 -0.0000006
489400.0000000 0.0000166 -0.0000043
111400.0000000 0.0000875 -0.0000227
31560.0000000 0.0003690 -0.0000960
10320.0000000 0.0013390 -0.0003484
3731.0000000 0.0043564 -0.0011384
1456.0000000 0.0128955 -0.0033874
604.1000000 0.0348201 -0.0093151
263.5000000 0.0843530 -0.0233023
119.8000000 0.1759070 -0.0523486
56.3200000 0.2920910 -0.0999499
Al S
27.1900000 1.0000000
Al S
13.2600000 1.0000000
Al S
6.0520000 1.0000000
Al S
2.9810000 1.0000000
Al S
1.4760000 1.0000000
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 P
1461.0000000 0.0002086
346.2000000 0.0018101
112.2000000 0.0097343
Al P
42.5100000 1.0000000
Al P
17.7200000 1.0000000
Al P
7.8520000 1.0000000
Al P
3.5710000 1.0000000
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 D
1.3170000 1.0000000
Al D
0.5260000 1.0000000
Al D
0.2100000 1.0000000
Al D
0.0840000 1.0000000
Al D
30.2400000 1.0000000
Al D
14.2490000 1.0000000
Al D
6.7142000 1.0000000
Al D
3.1630000 1.0000000
Al F
0.1300000 1.0000000
Al F
0.2580000 1.0000000
Al F
0.5130000 1.0000000
Al F
15.6410000 1.0000000
Al F
6.5270000 1.0000000
Al F
2.7240000 1.0000000
Al G
0.2520000 1.0000000
Al G
0.5430000 1.0000000
Al G
11.8300000 1.0000000
Al G
4.5020000 1.0000000
Al H
0.4460000 1.0000000
Al H
8.5080000 1.0000000
end
basis "Si_cc-pCV5Z" SPHERICAL
Si S
3948000.0000000 0.0000020 -0.0000005
591100.0000000 0.0000158 -0.0000042
134500.0000000 0.0000834 -0.0000222
38120.0000000 0.0003514 -0.0000936
12460.0000000 0.0012766 -0.0003401
4504.0000000 0.0041519 -0.0011106
1758.0000000 0.0123030 -0.0033088
729.1000000 0.0333102 -0.0091160
318.0000000 0.0809845 -0.0228790
144.6000000 0.1702900 -0.0517119
67.9700000 0.2868790 -0.0999091
Si S
32.8200000 1.0000000
Si S
16.0300000 1.0000000
Si S
7.3960000 1.0000000
Si S
3.6610000 1.0000000
Si S
1.8230000 1.0000000
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 P
1780.0000000 0.0002012
421.8000000 0.0017494
136.7000000 0.0094814
Si P
51.8100000 1.0000000
Si P
21.6000000 1.0000000
Si P
9.5630000 1.0000000
Si P
4.3500000 1.0000000
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 D
0.1260000 1.0000000
Si D
0.3210000 1.0000000
Si D
0.8170000 1.0000000
Si D
2.0820000 1.0000000
Si D
39.9340000 1.0000000
Si D
19.4830000 1.0000000
Si D
9.5050000 1.0000000
Si D
4.6380000 1.0000000
Si F
0.1690000 1.0000000
Si F
0.3410000 1.0000000
Si F
0.6880000 1.0000000
Si F
18.9640000 1.0000000
Si F
7.9560000 1.0000000
Si F
3.3380000 1.0000000
Si G
0.3200000 1.0000000
Si G
0.7050000 1.0000000
Si G
14.5040000 1.0000000
Si G
5.5810000 1.0000000
Si H
0.5830000 1.0000000
Si H
10.5360000 1.0000000
end
basis "P_cc-pCV5Z" SPHERICAL
P S
4666000.0000000 0.0000020 -0.0000005
698600.0000000 0.0000153 -0.0000042
159000.0000000 0.0000805 -0.0000218
45040.0000000 0.0003397 -0.0000923
14720.0000000 0.0012329 -0.0003351
5323.0000000 0.0040135 -0.0010951
2076.0000000 0.0119124 -0.0032680
861.1000000 0.0322511 -0.0089995
375.7000000 0.0786643 -0.0226528
170.8000000 0.1664580 -0.0514650
80.2900000 0.2830390 -0.1001860
P S
38.7700000 1.0000000
P S
18.9300000 1.0000000
P S
8.7960000 1.0000000
P S
4.3580000 1.0000000
P S
2.1740000 1.0000000
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 P
2010.0000000 0.0002159
476.3000000 0.0018754
154.4000000 0.0101742
P P
58.5100000 1.0000000
P P
24.4000000 1.0000000
P P
10.8000000 1.0000000
P P
4.9130000 1.0000000
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 D
0.1660000 1.0000000
P D
0.4180000 1.0000000
P D
1.0540000 1.0000000
P D
2.6560000 1.0000000
P D
48.4830000 1.0000000
P D
23.8780000 1.0000000
P D
11.7600000 1.0000000
P D
5.7920000 1.0000000
P F
0.2190000 1.0000000
P F
0.4500000 1.0000000
P F
0.9230000 1.0000000
P F
22.9200000 1.0000000
P F
9.6830000 1.0000000
P F
4.0910000 1.0000000
P G
0.4120000 1.0000000
P G
0.9030000 1.0000000
P G
17.3220000 1.0000000
P G
6.7170000 1.0000000
P H
0.7450000 1.0000000
P H
12.8110000 1.0000000
end
basis "S_cc-pCV5Z" SPHERICAL
S S
5481000.0000000 0.0000019 -0.0000005
820600.0000000 0.0000147 -0.0000041
186700.0000000 0.0000775 -0.0000214
52880.0000000 0.0003272 -0.0000905
17250.0000000 0.0011937 -0.0003301
6226.0000000 0.0038839 -0.0010778
2429.0000000 0.0115336 -0.0032187
1007.0000000 0.0312748 -0.0088722
439.5000000 0.0764387 -0.0223771
199.8000000 0.1627000 -0.0510577
93.9200000 0.2793280 -0.1002250
S S
45.3400000 1.0000000
S S
22.1500000 1.0000000
S S
10.3400000 1.0000000
S S
5.1190000 1.0000000
S S
2.5530000 1.0000000
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 P
2200.0000000 0.0002390
521.4000000 0.0020769
169.0000000 0.0112363
S P
64.0500000 1.0000000
S P
26.7200000 1.0000000
S P
11.8300000 1.0000000
S P
5.3780000 1.0000000
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 D
0.2050000 1.0000000
S D
0.5120000 1.0000000
S D
1.2810000 1.0000000
S D
3.2030000 1.0000000
S D
56.6940000 1.0000000
S D
28.0700000 1.0000000
S D
13.8980000 1.0000000
S D
6.8810000 1.0000000
S F
0.2550000 1.0000000
S F
0.5290000 1.0000000
S F
1.0960000 1.0000000
S F
26.3820000 1.0000000
S F
11.0720000 1.0000000
S F
4.6470000 1.0000000
S G
0.4630000 1.0000000
S G
1.0710000 1.0000000
S G
20.3460000 1.0000000
S G
7.9080000 1.0000000
S H
0.8720000 1.0000000
S H
15.3060000 1.0000000
end
basis "Cl_cc-pCV5Z" SPHERICAL
Cl S
6410000.0000000 0.0000018 -0.0000005
959600.0000000 0.0000141 -0.0000040
218300.0000000 0.0000742 -0.0000208
61810.0000000 0.0003141 -0.0000881
20140.0000000 0.0011464 -0.0003217
7264.0000000 0.0037389 -0.0010528
2832.0000000 0.0110946 -0.0031418
1175.0000000 0.0301152 -0.0086636
512.6000000 0.0739145 -0.0219353
233.0000000 0.1582580 -0.0502584
109.5000000 0.2747530 -0.0995414
Cl S
52.8600000 1.0000000
Cl S
25.8400000 1.0000000
Cl S
12.1700000 1.0000000
Cl S
6.0300000 1.0000000
Cl S
3.0120000 1.0000000
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 P
2548.0000000 0.0002357
603.7000000 0.0020516
195.6000000 0.0111543
Cl P
74.1500000 1.0000000
Cl P
30.9400000 1.0000000
Cl P
13.6900000 1.0000000
Cl P
6.2290000 1.0000000
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 D
0.2500000 1.0000000
Cl D
0.6180000 1.0000000
Cl D
1.5290000 1.0000000
Cl D
3.7810000 1.0000000
Cl D
65.8370000 1.0000000
Cl D
32.6870000 1.0000000
Cl D
16.2280000 1.0000000
Cl D
8.0570000 1.0000000
Cl F
0.3200000 1.0000000
Cl F
0.6560000 1.0000000
Cl F
1.3450000 1.0000000
Cl F
30.6910000 1.0000000
Cl F
12.8840000 1.0000000
Cl F
5.4090000 1.0000000
Cl G
0.5560000 1.0000000
Cl G
1.3020000 1.0000000
Cl G
23.4460000 1.0000000
Cl G
9.1210000 1.0000000
Cl H
1.0530000 1.0000000
Cl H
18.0660000 1.0000000
end
basis "Ar_cc-pCV5Z" SPHERICAL
Ar S
7401000.0000000 0.0000018 -0.0000005
1108000.0000000 0.0000136 -0.0000039
252100.0000000 0.0000716 -0.0000203
71380.0000000 0.0003030 -0.0000861
23260.0000000 0.0011061 -0.0003144
8390.0000000 0.0036067 -0.0010284
3271.0000000 0.0107132 -0.0030727
1357.0000000 0.0291068 -0.0084753
592.0000000 0.0716601 -0.0215201
269.1000000 0.1541405 -0.0494493
126.5000000 0.2704171 -0.0987759
Ar S
61.0300000 1.0000000
Ar S
29.8600000 1.0000000
Ar S
14.1700000 1.0000000
Ar S
7.0220000 1.0000000
Ar S
3.5110000 1.0000000
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 P
2927.0000000 0.0002320
693.5000000 0.0020233
224.7000000 0.0110340
Ar P
85.1700000 1.0000000
Ar P
35.5300000 1.0000000
Ar P
15.7300000 1.0000000
Ar P
7.1650000 1.0000000
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 D
0.3090000 1.0000000
Ar D
0.7700000 1.0000000
Ar D
1.9170000 1.0000000
Ar D
4.7760000 1.0000000
Ar D
76.8080000 1.0000000
Ar D
38.7370000 1.0000000
Ar D
19.5370000 1.0000000
Ar D
9.8530000 1.0000000
Ar F
0.4080000 1.0000000
Ar F
0.8250000 1.0000000
Ar F
1.6680000 1.0000000
Ar F
35.8730000 1.0000000
Ar F
15.1400000 1.0000000
Ar F
6.3900000 1.0000000
Ar G
0.6650000 1.0000000
Ar G
1.5620000 1.0000000
Ar G
26.5600000 1.0000000
Ar G
10.3060000 1.0000000
Ar H
1.2640000 1.0000000
Ar H
21.1040000 1.0000000
end
basis "Ca_cc-pCV5Z" SPHERICAL
Ca S
28249600.0000000 0.00000043 -0.00000012 0.00000004
4250190.0000000 0.00000329 -0.00000096 0.00000033
975014.0000000 0.00001714 -0.00000497 0.00000172
277446.0000000 0.00007228 -0.00002099 0.00000724
90454.7000000 0.00026522 -0.00007701 0.00002656
32515.9000000 0.00087484 -0.00025431 0.00008772
12610.6000000 0.00264991 -0.00077168 0.00026618
5190.7700000 0.00748447 -0.00219083 0.00075622
2242.3300000 0.01973093 -0.00583567 0.00201618
1011.5300000 0.04779799 -0.01446869 0.00501203
475.5470000 0.10359562 -0.03280384 0.01141485
232.0720000 0.19293018 -0.06674435 0.02345426
116.8740000 0.28626757 -0.11668667 0.04173784
60.3427000 0.29278494 -0.15919701 0.05894305
31.5244000 0.16312798 -0.11620650 0.04503419
16.0308000 0.03221688 0.10547012 -0.04437618
8.4599200 0.00059258 0.42483472 -0.21875449
Ca S
4.5271800 1.0000000
Ca S
2.4185900 1.0000000
Ca S
1.2512900 1.0000000
Ca S
0.6434300 1.0000000
Ca S
0.3291800 1.0000000
Ca S
0.1423900 1.0000000
Ca S
0.0781900 1.0000000
Ca S
0.0376300 1.0000000
Ca S
0.0182900 1.0000000
Ca P
406353.0000000 0.00000023 -0.00000007
13600.7000000 0.00002393 -0.00000779
3235.4700000 0.00021218 -0.00006908
1053.0500000 0.00122733 -0.00040059
403.5690000 0.00545277 -0.00178490
171.4900000 0.01962669 -0.00648320
78.2363000 0.05827993 -0.01956244
37.6065000 0.13955299 -0.04824767
18.7090000 0.25592562 -0.09128611
9.5004100 0.33998132 -0.12842086
Ca P
4.9055700 1.0000000
Ca P
2.5267000 1.0000000
Ca P
1.2713900 1.0000000
Ca P
0.6260100 1.0000000
Ca P
0.3009900 1.0000000
Ca P
0.1176900 1.0000000
Ca P
0.0511600 1.0000000
Ca P
0.0214200 1.0000000
Ca D
39.5628000 0.00344600
11.4373000 0.02136000
3.9674300 0.07544800
1.5247800 0.17152800
Ca D
0.5904700 1.0000000
Ca D
0.2191400 1.0000000
Ca D
0.0795700 1.0000000
Ca D
0.0283400 1.0000000
Ca F
0.0860000 1.0000000
Ca F
0.2580000 1.0000000
Ca F
0.7741000 1.0000000
Ca G
0.1012000 1.0000000
Ca G
0.3023000 1.0000000
Ca H
0.2534000 1.0000000
end
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