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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-07 08:35:57 +02:00
qp2/data/basis/ecp60mdf
2019-01-25 11:39:31 +01:00

178 lines
7.6 KiB
Plaintext

MERCURY
S 11
1 515.0454360 0.0002150
2 32.4991900 0.0326290
3 22.2377220 -0.2037750
4 15.3363600 0.3968850
5 5.5713570 -0.8406190
6 1.6638520 0.6196270
7 1.1386170 0.4039850
8 0.7787000 0.2294560
9 0.5321660 0.1452330
10 0.1710430 0.0082580
11 0.0773080 -0.0014000
S 11
1 515.0454360 -0.0000900
2 32.4991900 -0.0088350
3 22.2377220 0.0635850
4 15.3363600 -0.1358950
5 5.5713570 0.3365230
6 1.6638520 -0.4248550
7 1.1386170 0.0166430
8 0.7787000 -0.5090560
9 0.5321660 0.1423990
10 0.1710430 0.5565660
11 0.0773080 0.5064520
S 11
1 515.0454360 -0.0001780
2 32.4991900 -0.0259190
3 22.2377220 0.1584170
4 15.3363600 -0.3140720
5 5.5713570 0.7817930
6 1.6638520 -1.6316680
7 1.1386170 0.9312380
8 0.7787000 -2.8459780
9 0.5321660 3.2649850
10 0.1710430 0.6381380
11 0.0773080 -1.0213300
S 11
1 515.0454360 0.0002400
2 32.4991900 0.0336410
3 22.2377220 -0.2089440
4 15.3363600 0.4220870
5 5.5713570 -1.1526410
6 1.6638520 3.4557170
7 1.1386170 0.2104550
8 0.7787000 -3.2800620
9 0.5321660 -0.8122360
10 0.1710430 2.7063810
11 0.0773080 -0.7935760
S 11
1 515.0454360 0.0004770
2 32.4991900 -0.0123630
3 22.2377220 -0.1010600
4 15.3363600 0.4205280
5 5.5713570 -1.8196200
6 1.6638520 12.5773070
7 1.1386170 -14.1041500
8 0.7787000 -4.0831790
9 0.5321660 8.8639740
10 0.1710430 -1.4276560
11 0.0773080 -1.4077260
S 1
1 0.0355100 1.0000000
P 11
1 35.8789210 0.0036980
2 23.0524000 -0.0318130
3 15.8982070 0.0821320
4 6.1873460 -0.3027770
5 2.1461790 0.3019560
6 1.2986980 0.5056860
7 0.6650380 0.3388330
8 0.2798340 0.0514810
9 0.1283810 -0.0022600
10 0.0550830 0.0018330
11 0.0216550 -0.0006060
P 11
1 35.8789210 -0.0004560
2 23.0524000 0.0061470
3 15.8982070 -0.0189970
4 6.1873460 0.0817050
5 2.1461790 -0.1008590
6 1.2986980 -0.1653020
7 0.6650380 -0.1043470
8 0.2798340 0.1464830
9 0.1283810 0.3845230
10 0.0550830 0.4895080
11 0.0216550 0.1621580
P 11
1 35.8789210 -0.0009210
2 23.0524000 0.0160620
3 15.8982070 -0.0528960
4 6.1873460 0.2406720
5 2.1461790 -0.3062120
6 1.2986980 -0.7792750
7 0.6650380 0.4151010
8 0.2798340 1.0101170
9 0.1283810 -0.0606980
10 0.0550830 -0.5175220
11 0.0216550 -0.2009530
P 11
1 35.8789210 -0.0057200
2 23.0524000 0.0414210
3 15.8982070 -0.1010420
4 6.1873460 0.4162660
5 2.1461790 -1.0237230
6 1.2986980 -0.7407780
7 0.6650380 2.2316750
8 0.2798340 -0.6395650
9 0.1283810 -1.1037030
10 0.0550830 0.7264750
11 0.0216550 0.2538140
P 11
1 35.8789210 0.0023990
2 23.0524000 -0.0402000
3 15.8982070 0.1385160
4 6.1873460 -0.7965030
5 2.1461790 4.4022670
6 1.2986980 -4.9950260
7 0.6650380 0.8902890
8 0.2798340 2.0456170
9 0.1283810 -2.2883760
10 0.0550830 0.7359270
11 0.0216550 0.2625730
P 1
1 0.0077290 1.0000000
D 9
1 104.2147760 0.0000460
2 15.3620430 0.0017820
3 10.5083340 0.0185090
4 7.2471270 -0.0738780
5 1.9511780 0.2993520
6 0.9079880 0.4534960
7 0.3908140 0.3440990
8 0.1516960 0.1088580
9 0.0600000 0.0025060
D 9
1 104.2147760 -0.0001400
2 15.3620430 0.0033260
3 10.5083340 -0.0427660
4 7.2471270 0.1204060
5 1.9511780 -0.5873260
6 0.9079880 -0.3772970
7 0.3908140 0.6701110
8 0.1516960 0.4067380
9 0.0600000 0.0284070
D 9
1 104.2147760 0.0001620
2 15.3620430 -0.0043080
3 10.5083340 0.0580370
4 7.2471270 -0.1665040
5 1.9511780 1.1260300
6 0.9079880 -0.8405530
7 0.3908140 -0.5639440
8 0.1516960 0.8510170
9 0.0600000 0.1730010
D 9
1 104.2147760 0.0018810
2 15.3620430 -0.1564580
3 10.5083340 0.4196250
4 7.2471270 -0.2454820
5 1.9511780 -1.4250730
6 0.9079880 2.4200420
7 0.3908140 -1.8333460
8 0.1516960 0.4723480
9 0.0600000 0.4797650
F 1
1 1.9050000 1.0000000
F 1
1 0.6320000 1.0000000
F 1
1 0.2100000 1.0000000
G 1
1 1.8550000 1.0000000
G 1
1 0.6200000 1.0000000