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