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@liyuanhe211 @978142355 不好意思 附件是我的输入文件,输出结果是:
Eigenvalue 114 is 1.77D-07 should be less than 0.000000 Eigenvector:
R26 R24 A45 A36 R32
1 0.38002 -0.28079 -0.27872 0.23431 -0.22798
R21 R27 A40 R31 A44
1 0.20660 -0.18756 0.18641 -0.18071 0.14300
NTrRot= 173 NTRed= 281 NAtoms= 38 NSkip= 173 IsLin=F
Error in internal coordinate system.
Error termination via Lnk1e in /vol6/home/hn_zjl/software/Gaussion09/g09B01/l103.exe at Wed Nov 11 22:35:01 2015.
Job cpu time: 1 days 2 hours 51 minutes 52.6 seconds.
File lengths (MBytes): RWF= 809 Int= 0 D2E= 0 Chk= 17 Scr= 1
还望大神们多多指教,谢谢 |
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