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{multi;occ,9,2;closed,4,1;                      !define active and inactive spaces
wf,18,2;state,2;                                     !two A" states (1B1 and 1A2 in C2v)
orbital,2140.2}                                        !save orbitals to 2140.2
reforb=2140.2

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mscic(½ð±Ò+2): 2011-03-03 11:08:25
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mscic(½ð±Ò+10): лл£¡ 2011-03-01 13:32:48
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S. L. Altmann and P. Herzig, Point Group Theory Tables, Clarendon Press, Oxford, 1994.
2Â¥2011-02-28 23:11:58
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mscic

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ÒýÓûØÌû:
Originally posted by mscic at 2011-02-28 17:10:32:
{multi;occ,9,2;closed,4,1;                      !define active and inactive spaces
wf,18,2;state,2;                                     !two A" states (1B1 and 1A2 in C2v)
orbital,2140.2}    ...

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3Â¥2011-03-02 21:14:01
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