提交任务后，出错！
The combination of multiplicity 1 and 205 electrons is impossible.
Error termination via Lnk1e in /share/g03/l301.exe at Thu May 5 23:27:49 2011.
Job cpu time: 0 days 0 hours 0 minutes 1.3 seconds.
File lengths (MBytes): RWF= 13 Int= 0 D2E= 0 Chk= 1 Scr= 1
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