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Merge pull request #16 from TApplencourt/master

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Now good basis file
This commit is contained in:
Anthony Scemama 2014-10-24 11:29:55 +02:00
commit 428bbdfe65
1 changed files with 2 additions and 2 deletions
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data/basis/cc-pvdz
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@ -318,7 +318,7 @@ P 1
D 1 D 1
1 0.0973000 1.0000000 1 0.0973000 1.0000000
Mn Mg
S 11 S 11
1 47390.0000000 0.346023D-03 1 47390.0000000 0.346023D-03
2 7108.0000000 0.268077D-02 2 7108.0000000 0.268077D-02
@ -1604,7 +1604,7 @@ F 2
1 2.221100E+00 4.235450E-01 1 2.221100E+00 4.235450E-01
2 5.231000E-01 7.741140E-01 2 5.231000E-01 7.741140E-01
Mg Mn
S 19 S 19
1 3.960805E+06 8.242127E-06 1 3.960805E+06 8.242127E-06
2 5.931155E+05 6.408587E-05 2 5.931155E+05 6.408587E-05