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DoAtom=TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT
DoAtom=TTTTTT
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
Integrals replicated using symmetry in FoFDir.
MinBra= 0 MaxBra= 1 Meth= 1.
IRaf=       0 NMat=  35 IRICut=      35 DoRegI=T DoRafI=T ISym2E= 2 JSym2E=2.
Raff turned off since only 54.33% of shell-pairs survive.
          There are 171 degrees of freedom in the 1st order CPHF.
   171 vectors were produced by pass  0.
AX will form  35 AO Fock derivatives at one time.
   168 vectors were produced by pass  1.
Not enough memory in AlgDDF.
Error termination via Lnk1e in C:\G03W\l1002.exe at Tue Oct 12 14:00:21 2010.
Job cpu time:  0 days  2 hours 18 minutes 50.0 seconds.


ÕâÊÇÔËÐÐÎļþ

%chk=di.chk
%nproc=4
%mem=1GB
#n AM1  opt

title

  0  1
O 0    2.406138   -2.029201   -1.726762
C 0    1.588311   -1.254058   -0.800364
C 0    1.615338    0.218554   -1.232798
C 0    0.184669   -1.797423   -0.786448
C 0    2.207580   -1.439232    0.606225
C 0    3.105728    0.657136   -1.268014
C 0    0.649818    0.995876   -0.313079
O 0    0.103030   -3.118079   -0.994427
C 0   -0.903505   -0.993711   -0.572201
O 0    1.751019   -2.344111    1.360177
C 0    3.328407   -0.607895    0.925666
N 0    3.329145    1.972648   -1.888466
C 0    3.797767    0.422236    0.067432
C 0   -0.799173    0.509484   -0.539408
C 0   -2.195744   -1.587158   -0.531420
C 0    4.043353   -0.799824    2.165310
C 0    4.588092    2.029013   -2.674549
C 0    3.204099    3.170674   -1.017189
O 0    4.819961    1.149695    0.373957
C 0   -1.802313    1.124757    0.467063
O 0   -2.337255   -2.873134   -0.748978
C 0   -3.364236   -0.760022   -0.268399
N 0    3.666451   -1.739044    3.024168
O 0    5.083320   -0.043567    2.462974
C 0   -1.479245    0.796906    1.934654
O 0   -1.675248    2.574568    0.365692
C 0   -3.222638    0.596058    0.163483
C 0   -4.647495   -1.351746   -0.433857
C 0   -4.390064    1.303622    0.390942
O 0   -4.815548   -2.645005   -0.784340
C 0   -5.791836   -0.562369   -0.228132
Cl 0  -4.435208    3.025586    1.038770
C 0   -5.659266    0.746191    0.179554
H 0    2.066702   -2.966145   -1.650633
H 0    1.263103    0.272073   -2.268339
H 0    3.556453   -0.085504   -1.942975
H 0    0.670001    2.065768   -0.512194
H 0    0.940426    0.840054    0.730043
H 0   -0.930230   -3.357738   -0.945073
H 0   -1.114327    0.879747   -1.531571
H 0    4.597334    2.959847   -3.252166
H 0    4.611861    1.188849   -3.376566
H 0    5.484717    1.993726   -2.038720
H 0    3.190602    4.055827   -1.662722
H 0    4.028274    3.260511   -0.298814
H 0    2.261309    3.140017   -0.470630
H 0    5.201220    0.653376    1.598087
H 0    4.180877   -1.864986    3.889007
H 0    2.843401   -2.299124    2.741717
H 0   -2.269315    1.201374    2.571815
H 0   -0.537253    1.275063    2.213256
H 0   -1.402997   -0.283554    2.076584
H 0   -2.073958    2.860752   -0.500411
H 0   -3.874178   -3.072036   -0.836148
H 0   -6.760724   -1.017465   -0.377413
H 0   -6.533148    1.357638    0.361684

--Link1--
%chk=di
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jxzxm98

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ÎÊÌâÒѽâ¾ö£¬Ð»Ð»heyo 123µÄ°ï棬¶ÒÏÖ½ð±Ò£¡
5Â¥2010-10-17 08:49:14
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heyo_123

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jxzxm98(½ð±Ò+1):ÇëÄú°ï棬лл 2010-10-16 21:54:22
jxzxm98(½ð±Ò+49):°´ËûµÄ˼·£¬ÎÊÌâÒѾ­½â¾ö£¡ 2010-10-17 08:49:38
1.Not enough memory in AlgDDF. ÄÚ´æ²»¹»
2.C:\G03W\l1002.exe ΪʲôҪÔÚCÅÌ×°Gaussian£¿£¿£¿
3.ÄãµÄµçÄÔÄÚ´æ¶à´ó£¿£¿£¿Ò»¸öAM1¾ÍÓÃ1GB£¿£¿£¿
2Â¥2010-10-16 21:26:53
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3Â¥2010-10-16 21:52:49
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ÒýÓûØÌû:
Originally posted by heyo_123 at 2010-10-16 21:26:53:
1.Not enough memory in AlgDDF. ÄÚ´æ²»¹»
2.C:\G03W\l1002.exe ΪʲôҪÔÚCÅÌ×°Gaussian£¿£¿£¿
3.ÄãµÄµçÄÔÄÚ´æ¶à´ó£¿£¿£¿Ò»¸öAM1¾ÍÓÃ1GB£¿£¿£¿

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