Example bader: Difference between revisions
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go back to [[Main Page]], [[Computational Resources]], [[Chemistry & More]], [[Computational Codes]], [[GAUSSIAN]], [[G03]] | |||
<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> | ||
< | |||
<nowiki> | |||
h 1 0.7</nowiki> | |||
<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> | ||
Latest revision as of 14:31, 16 October 2009
go back to Main Page, Computational Resources, Chemistry & More, Computational Codes, GAUSSIAN, G03
#p becke3lyp gen output=wfn
Title
0 1
h
h 1 0.7
-h 0
6-31g
****
h2bader.wfn