Example bader: Difference between revisions
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<nowiki> h </nowiki> | <nowiki> h </nowiki> | ||
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< | h 1 0.7</nowiki> | ||
Revision as of 14:21, 16 October 2009
#p becke3lyp gen output=wfn
Title
0 1
h h 1 0.7
-h 0
6-31g
****
h2bader.wfn