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qwerasdf2783

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应助: 16 (小学生)
金币: 1465.9
散金: 56
红花: 2
帖子: 2460
在线: 291.1小时
虫号: 621467
注册: 2008-10-09
专业: 光化学和辐射化学

[交流] 【求助】帮忙看看这是什么报错

想知道到底哪错了
log文件：
# ub3lyp/6-311++g(2d,p) scf=tight geom=connectivity
---------------------------------------------------
1/38=1,57=2/1;
2/17=6,18=5,40=1/2;
3/5=4,6=6,7=1112,11=2,16=1,25=1,30=1,74=-5/1,2,3;
4/7=2/1;
5/5=2,32=2,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
99/5=1,9=1/99;
-------------------
Title Card Required
-------------------
Symbolic Z-matrix:
Charge = -1 Multiplicity = 2
C                   -1.17423  -0.88267 1.11083
H                   -0.92111  -1.93861 1.0561
H                   -2.06563  -0.58043 0.56873
C                   -0.11059 0.10937 1.36159
O                   -1.02093  -0.2864 2.4047
C                   -0.29542 1.51466 0.85914
C                   0.46729 1.99797  -0.20769
C                   -1.24065 2.35769 1.44477
C                   0.28299 3.2917 -0.682
H                   1.20684 1.36249  -0.67983
C                   -1.42074 3.65407 0.97303
H                   -1.82776 1.98753 2.27513
C                   -0.66162 4.12569  -0.09228
H                   0.87947 3.64865  -1.51344
H                   -2.15561 4.29767 1.44252
H                   -0.80278 5.13527  -0.45946
C                   1.30915  -0.3686 1.57031
H                   1.86945  -0.37785 0.63339
H                   1.83164 0.28843 2.2692
H                   1.30587  -1.37902 1.9798

End of file reading connectivity.
Error termination via Lnk1e in /export/local/g03/g03/l101.exe at Sun Aug 29 23:07:52 2010.
Job cpu time:  0 days  0 hours  0 minutes  3.9 seconds.
File lengths (MBytes):  RWF=    7 Int=    0 D2E=    0 Chk=    1 Scr=    1

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