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jingfuqiang

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专业: 化学动力学

l113作物怎么解决？已有1人参与

下面是我的输出文件：
Atom       1          2          3          4          5          6          7          8          9       10
IAtWgt=       12       12          1          1          1       12          1          1          1          1
AtmWgt=  12.0000000  12.0000000 1.0078250 1.0078250 1.0078250  12.0000000 1.0078250 1.0078250 1.0078250 1.0078250
NucSpn=          0          0          1          1          1          0          1          1          1          1
AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460

  Atom       11       12
IAtWgt=          1       16
AtmWgt= 1.0078250  15.9949146
NucSpn=          1          0
AtZEff= 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000
NMagM= 2.7928460 0.0000000
Leave Link  101 at Thu Jan 22 15:23:42 2015, MaxMem=  262144000 cpu:    4.8
(Enter /opt/g09/l113.exe)

EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-EF-
EIGENVECTOR FOLLOWING TRANSITION STATE SEARCH
INITIALIZATION PASS

************************************************
** ERROR IN INITEF. NUMBER OF VARIABLES (  0) **
** INCORRECT (SHOULD BE BETWEEN 1 AND 50) **
************************************************

Error termination via Lnk1e in /opt/g09/l113.exe at Thu Jan 22 15:23:42 2015.
Job cpu time:  0 days  0 hours  0 minutes  6.3 seconds.

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