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adding W DZVP basis

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svn-origin-rev: 3685
This commit is contained in:
Mohamed Fawzi 2005-03-25 15:10:20 +00:00
parent eae2505e80
commit fb2c49fe18
1 changed files with 18 additions and 0 deletions
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18
tests/QS/GTH_BASIS_SETS
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@ -1440,3 +1440,21 @@ Ar QZV3P-GTH
1.8730000000 1.0000000000 0.0000000000 0.0000000000
0.7630000000 0.0000000000 1.0000000000 0.0000000000
0.3110000000 0.0000000000 0.0000000000 1.0000000000
#
W DZVP-GTH
3
5 0 0 4 3
3.17833961 -0.59405642 0.16293727 0.00000000
1.54892965 0.66388244 -0.20717075 0.00000000
0.65507630 0.77725275 -0.51725023 0.00000000
0.08615458 0.02093277 1.15557619 1.00000000
5 1 1 4 2
2.98630221 0.05620580 0.00000000
1.21317676 -0.52492834 0.00000000
0.58573989 -0.46305304 0.00000000
0.26423237 -0.11761739 1.00000000
5 2 2 4 2
3.98958029 0.05242902 0.00000000
1.11283726 -0.37652293 0.00000000
0.39364968 -0.52218358 0.00000000
0.12396511 -0.33923705 1.00000000