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130 lines (120 loc) · 3.93 KB
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bases
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!01-6-31g
3 s
19.2406000 0.0328280
2.8992000 0.2312080
0.6534000 0.8172380
1 s
0.1776000 1.0000000
$ END
01-6-31g
3 s
18.7311370 0.03349460
2.8253937 0.23472695
0.6401217 0.81375733
1 s
0.1612778 1.0000000
$ END
08-6-31g
6 s
5484.6717000 0.0018311
825.2349500 0.0139501
188.0469600 0.0684451
52.9645000 0.2327143
16.8975700 0.4701930
5.7996353 0.3585209
3 s
15.5396160 -0.1107775
3.5999336 -0.1480263
1.0137618 1.1307670
1 s
0.2700058 1.0000000
3 p
15.5396160 0.0708743
3.5999336 0.3397528
1.0137618 0.7271586
1 p
0.2700058 1.0000000
!$ END
!08-6-31g
5 s
8897.19445619 0.0019631
1365.26538810 0.0147021
311.21828724 0.0753808
86.33353862 0.2850876
27.42841118 0.7128153
2 s
9.74740298 0.7638180
3.77109950 0.2663418
1 s
1.04455407 1.0000000
1 s
0.30382295 1.0000000
4 p
34.75998468 0.0199871
7.80757529 0.1258380
2.29096903 0.3939784
0.71677956 0.6260029
1 p
0.21323853 1.0000000
1 d
1.25011953 1.0000000
$ END
06-6-31g
5 s
4949.46032594 0.0019796
758.82582124 0.0148496
172.62336223 0.0762545
47.77742113 0.2872122
15.15140603 0.7104557
2 s
5.39400345 0.7530892
2.11083628 0.2771972
1 s
0.52460137 1.0000000
1 s
0.15964728 1.0000000
4 p
18.97219923 0.0179023
4.18721595 0.1114128
1.21388239 0.3744715
0.38698643 0.6513515
1 p
0.12406489 1.0000000
1 d
0.61467289 1.0000000
$ END
16-6-31g
6 s
21917.1000000 0.0018690
3301.4900000 0.0142300
754.1460000 0.0696960
212.7110000 0.2384870
67.9896000 0.4833070
23.0515000 0.3380740
6 s
423.7350000 -0.0023767
100.7100000 -0.0316930
32.1599000 -0.1133170
11.8079000 0.0560900
4.6311000 0.5922550
1.8702500 0.4550060
3 s
2.6158400 -0.2503740
0.9221670 0.0669570
0.3412870 1.0545100
1 s
0.1171670 1.0000000
6 p
423.7350000 0.0040610
100.7100000 0.0306810
32.1599000 0.1304520
11.8079000 0.3272050
4.6311000 0.4528510
1.8702500 0.2560420
3 p
2.6158400 -0.0145110
0.9221670 0.3102630
0.3412870 0.7544830
1 p
0.1171670 1.0000000
$ END