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zhuohongying

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Largest valence mixing into a core orbital is  4.65D-01
Largest core mixing into a valence orbital is  5.02D-01
Excessive mixing of frozen core and valence orbitals.
Error termination via Lnk1e in /share/apps/gauss/g09/l801.exe at Sun Jan  6 16:38:17 2013.
Job cpu time:  0 days  0 hours  0 minutes 30.7 seconds.
File lengths (MBytes):  RWF=     14 Int=      0 D2E=      0 Chk=      1 Scr=      
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gauss98

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2Â¥2013-01-07 08:13:17
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zhuohongying

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3Â¥2013-01-07 09:52:19
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lujun2910

ľ³æ (СÓÐÃûÆø)

4Â¥2013-01-08 09:15:07
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gauss98

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5Â¥2013-01-08 14:15:07
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loovfnd

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6Â¥2013-01-08 22:47:46
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zhuohongying

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6Â¥: Originally posted by loovfnd at 2013-01-08 22:47:46
ÊÔÊÔ¼ÓÉÏiop(8/13=1)

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7Â¥2013-01-09 16:04:46
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xiaowandouer

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