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zyr3365754

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%chk=1.chk
%mem=6MW
%nproc=1
# opt freq=noraman CCSD(t)/6-311+g(d) geom=connectivity

Title Card Required

0 3
Si                 1.93080692   -1.23081885    1.13154207

1

¼ÆËãʱ·¢Éú´íÎóÈçÏ£º
%chk=1.chk
%mem=6MW
%nproc=1
Will use up to    1 processors via shared memory.
-------------------------------------------------------
# opt freq=noraman CCSD(t)/6-311+g(d) geom=connectivity
-------------------------------------------------------

Warning:  this job cannot use analytic gradients
           and so will do many energy evaluations.

1/29=20000,38=1,57=2/1,14;
2/17=6,18=5,29=3,40=1/2;
3/5=4,6=6,7=11,11=9,16=1,25=1,30=1/1,2,3;
4//1;
5/5=2,38=5/2;
8/6=7,9=120000,10=2/1,4;
9/5=7,14=2/13;
6/7=2,8=2,9=2,10=2/1;
1//14(3);
2/29=3/2;
6/7=2,8=2,9=2,10=2/1;
99//99;
2/29=3/2;
3/5=4,6=6,7=11,11=9,16=1,25=1,30=1/1,2,3;
4/5=5,16=3/1;
5/5=2,38=5/2;
8/6=7,9=120000,10=2/1,4;
9/5=7,14=2/13;
1//14(-6);
2/29=3/2;
6/7=2,8=2,9=2,10=2/1;
99//99;
-------------------
Title Card Required
-------------------
Symbolic Z-matrix:
Charge =  0 Multiplicity = 3
Si                    1.93081  -1.23082   1.13154


NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-
NUMERICAL EIGENVECTOR FOLLOWING MINIMUM SEARCH
INITIALIZATION PASS


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


Error termination via Lnk1e in d:\g09w\l114.exe at Tue Jun 11 11:49:20 2013.
Job cpu time:  0 days  0 hours  0 minutes  0.0 seconds.
File lengths (MBytes):  RWF=      7 Int=      0 D2E=      0 Chk=      9 Scr=      1

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jliang8190

ľ³æ (СÓÐÃûÆø)

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zyr3365754: ½ð±Ò+2 2013-06-11 13:51:04
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jliang8190

ľ³æ (СÓÐÃûÆø)

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zyr3365754: ½ð±Ò+1 2013-06-11 13:51:12
gmy1990: ½ð±Ò+2 2013-06-11 17:26:20
Äã°ÑÊäÈëÎļþ¸ÄΪ£º
%chk=1.chk
%mem=6MW
%nproc=1
# opt freq=noraman CCSD(t)/6-311+g(d)

Title Card Required

0 3
Si
2Â¥2013-06-11 12:35:57
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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