9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-14 11:41:32 +02:00
qp2/data/basis/cc-pvqz_ames
2019-01-25 11:39:31 +01:00

267 lines
10 KiB
Plaintext

TITANIUM
S 17
1 5309148.1000000 0.0000040
2 794951.6500000 0.0000340
3 180907.5600000 0.0001800
4 51241.9330000 0.0007590
5 16717.4490000 0.0027570
6 6035.2659000 0.0089250
7 2353.8571000 0.0260620
8 976.1464600 0.0681900
9 425.4356300 0.1543490
10 193.0467700 0.2802820
11 90.4393690 0.3484000
12 43.0207130 0.2217050
13 19.1905550 0.0400180
14 9.4257160 -0.0021380
15 4.6052430 0.0017220
16 2.0378340 -0.0008020
17 0.9800320 0.0003560
S 17
1 5309148.1000000 -0.0000010
2 794951.6500000 -0.0000100
3 180907.5600000 -0.0000530
4 51241.9330000 -0.0002240
5 16717.4490000 -0.0008180
6 6035.2659000 -0.0026590
7 2353.8571000 -0.0078790
8 976.1464600 -0.0212220
9 425.4356300 -0.0514220
10 193.0467700 -0.1067020
11 90.4393690 -0.1746860
12 43.0207130 -0.1560410
13 19.1905550 0.1293230
14 9.4257160 0.5384640
15 4.6052430 0.4357080
16 2.0378340 0.0681170
17 0.9800320 -0.0024360
S 16
1 794951.6500000 0.0000040
2 180907.5600000 0.0000180
3 51241.9330000 0.0000810
4 16717.4490000 0.0002890
5 6035.2659000 0.0009510
6 2353.8571000 0.0028120
7 976.1464600 0.0076020
8 425.4356300 0.0185920
9 193.0467700 0.0390850
10 90.4393690 0.0664980
11 43.0207130 0.0620460
12 19.1905550 -0.0562490
13 9.4257160 -0.3180890
14 4.6052430 -0.4058270
15 2.0378340 0.1704320
16 0.9800320 0.6975960
S 1
1 0.4456250 1.0000000
S 1
1 0.1064170 1.0000000
S 1
1 0.0525710 1.0000000
S 1
1 0.0243570 1.0000000
P 10
1 7999.8045000 0.0000880
2 1894.4515000 0.0007770
3 615.1874800 0.0044040
4 234.9274100 0.0186640
5 99.2137530 0.0620720
6 44.9161400 0.1590770
7 21.2497170 0.2969700
8 10.3304580 0.3688010
9 5.1049800 0.2348260
10 2.4406900 0.0493560
P 10
1 7999.8045000 -0.0000290
2 1894.4515000 -0.0002610
3 615.1874800 -0.0014820
4 234.9274100 -0.0063570
5 99.2137530 -0.0214770
6 44.9161400 -0.0571340
7 21.2497170 -0.1104660
8 10.3304580 -0.1481470
9 5.1049800 -0.0554260
10 2.4406900 0.2455620
P 1
1 1.1512050 1.0000000
P 1
1 0.5295560 1.0000000
P 1
1 0.2211900 1.0000000
P 1
1 0.0880000 1.0000000
P 1
1 0.0350000 1.0000000
P 1
1 0.0140000 1.0000000
D 4
1 89.5692010 0.0019660
2 26.5843560 0.0147190
3 9.7710320 0.0582080
4 3.9619330 0.1581680
D 1
1 1.6892690 1.0000000
D 1
1 0.7156710 1.0000000
D 1
1 0.2938110 1.0000000
D 1
1 0.1108310 1.0000000
D 1
1 0.0440000 1.0000000
F 1
1 2.3450000 1.0000000
F 1
1 0.6700000 1.0000000
F 1
1 0.1914290 1.0000000
G 1
1 1.5354000 1.0000000
G 1
1 0.3911850 1.0000000
H 1
1 0.7500000 1.0000000
IRON
S 18
1 4316265.3000000 0.0000090
2 646342.4200000 0.0000670
3 147089.7300000 0.0003540
4 41661.5220000 0.0014940
5 13590.7650000 0.0054110
6 4905.7500000 0.0173530
7 1912.7458000 0.0495400
8 792.6043400 0.1230340
9 344.8064800 0.2492910
10 155.8998900 0.3585690
11 72.2309080 0.2774790
12 32.7250650 0.0672010
13 15.6676220 -0.0011550
14 7.5034830 0.0019310
15 3.3122230 -0.0008930
16 1.5584710 0.0003850
17 0.6839140 -0.0001510
18 0.1467570 0.0000560
S 18
1 4316265.3000000 -0.0000030
2 646342.4200000 -0.0000200
3 147089.7300000 -0.0001080
4 41661.5220000 -0.0004540
5 13590.7650000 -0.0016500
6 4905.7500000 -0.0053420
7 1912.7458000 -0.0156190
8 792.6043400 -0.0408880
9 344.8064800 -0.0929070
10 155.8998900 -0.1689370
11 72.2309080 -0.1909910
12 32.7250650 0.0439680
13 15.6676220 0.5154530
14 7.5034830 0.5051630
15 3.3122230 0.0923750
16 1.5584710 -0.0024030
17 0.6839140 0.0022460
18 0.1467570 -0.0004940
S 18
1 4316265.3000000 0.0000010
2 646342.4200000 0.0000080
3 147089.7300000 0.0000400
4 41661.5220000 0.0001680
5 13590.7650000 0.0006110
6 4905.7500000 0.0019840
7 1912.7458000 0.0058060
8 792.6043400 0.0153280
9 344.8064800 0.0352100
10 155.8998900 0.0662250
11 72.2309080 0.0784520
12 32.7250650 -0.0187860
13 15.6676220 -0.3051870
14 7.5034830 -0.4593380
15 3.3122230 0.1270580
16 1.5584710 0.7292350
17 0.6839140 0.3992630
18 0.1467570 0.0164900
S 17
1 646342.4200000 0.0000020
2 147089.7300000 0.0000090
3 41661.5220000 0.0000360
4 13590.7650000 0.0001310
5 4905.7500000 0.0004250
6 1912.7458000 0.0012420
7 792.6043400 0.0032840
8 344.8064800 0.0075530
9 155.8998900 0.0142720
10 72.2309080 0.0169960
11 32.7250650 -0.0040380
12 15.6676220 -0.0696300
13 7.5034830 -0.1100960
14 3.3122230 0.0384720
15 1.5584710 0.2262400
16 0.6839140 0.2506610
17 0.1467570 -0.3198270
S 1
1 0.0705830 1.0000000
S 1
1 0.0314490 1.0000000
P 9
1 7721.4886000 0.0001760
2 1829.1258000 0.0015510
3 593.6279500 0.0086390
4 226.2053600 0.0354820
5 95.2614540 0.1108050
6 42.8592030 0.2515360
7 20.0497130 0.3816690
8 9.6208850 0.3099100
9 4.5413710 0.0878640
P 9
1 7721.4886000 -0.0000640
2 1829.1258000 -0.0005620
3 593.6279500 -0.0031560
4 226.2053600 -0.0131090
5 95.2614540 -0.0422830
6 42.8592030 -0.0998510
7 20.0497130 -0.1620460
8 9.6208850 -0.1149630
9 4.5413710 0.1817420
P 1
1 2.1135000 1.0000000
P 1
1 0.9472010 1.0000000
P 1
1 0.3912430 1.0000000
P 1
1 0.1564800 1.0000000
P 1
1 0.0625920 1.0000000
P 1
1 0.0250370 1.0000000
D 5
1 217.3688300 0.0009450
2 64.9997550 0.0080600
3 24.7731370 0.0365040
4 10.4361400 0.1110340
5 4.6796530 0.2325450
D 1
1 2.1256230 1.0000000
D 1
1 0.9452420 1.0000000
D 1
1 0.4026850 1.0000000
D 1
1 0.1566510 1.0000000
D 1
1 0.0626600 1.0000000
F 1
1 5.1387770 1.0000000
F 1
1 1.5190000 1.0000000
F 1
1 0.4490100 1.0000000
G 1
1 3.7058090 1.0000000
G 1
1 1.0114110 1.0000000
H 1
1 2.4800000 1.0000000