标题: Gaussian计算时遇到String too long in BldStC.问题怎么解决？ [打印本页] 作者Author: wsc 时间: 2023-11-3 09:31 标题: Gaussian计算时遇到String too long in BldStC.问题怎么解决？ 老师好，Gaussian 计算式遇到String too long in BldStC.问题该怎么解决呀？
Entering Link 1 = E:\software\G09W\l1.exe PID= 3824.
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Cite this work as:
Gaussian 09, Revision C.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010.
******************************************
Gaussian 09: IA32W-G09RevC.01 23-Sep-2011
03-Nov-2023
******************************************
%chk=E:\Gaussian\Gelatin+Gly.chk
-------------------------------
# b3lyp/6-31g geom=connectivity
-------------------------------
1/38=1,57=2/1;
2/12=2,17=6,18=5,40=1/2;
3/5=1,6=6,11=2,16=1,25=1,30=1,74=-5/1,2,3;
4//1;
5/5=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
-------------------
Charge = 0 Multiplicity = 2
Symbolic Z-Matrix:
N 9.45477 -7.13868 8.95864
C 9.75381 -7.05095 10.39178
C 8.99681 -5.75163 8.59336
H 10.31831 -7.88675 10.749
H 8.86568 -6.97564 10.9839
C 10.53142 -5.71639 10.40007
C 9.42252 -4.89993 9.81518
H 7.93853 -5.64646 8.47821
C 9.67838 -5.31901 7.26457
H 11.40149 -5.7519 9.77827
H 10.84543 -5.38646 11.36835
H 9.6412 -3.88135 9.57049
H 8.64032 -4.91331 10.54497
O 9.93559 -4.09587 7.1184
N 10.04644 -6.22894 6.15454
H 10.80657 -5.81506 5.65453
C 8.89469 -6.40693 5.25034
C 8.32583 -5.02815 4.86748
H 9.1979 -6.92289 4.36349
H 8.16642 -6.99013 5.75229
O 9.08783 -4.02893 4.80308
String too long in BldStC.
Error termination via Lnk1e in E:\software\G09W\l101.exe at Fri Nov 03 07:49:48 2023.
Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds.
File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1
0 2
N 9.45477057 -7.13868216 8.95864047
C 9.75380770 -7.05094644 10.39177804
C 8.99681093 -5.75162712 8.59335849
H 10.31830509 -7.88675204 10.74900281
H 8.86567904 -6.97563973 10.98390372
C 10.53142207 -5.71638652 10.40006649
C 9.42252153 -4.89993077 9.81517889
H 7.93853437 -5.64646298 8.47820989
C 9.67838083 -5.31900951 7.26457268
H 11.40149353 -5.75189961 9.77827294
H 10.84542533 -5.38645661 11.36835430
H 9.64119543 -3.88135049 9.57048729
H 8.64032364 -4.91331063 10.54497257
O 9.93558697 -4.09587446 7.11840306
N 10.04644217 -6.22894442 6.15454349
H 10.80657397 -5.81505967 5.65452928
C 8.89469378 -6.40692707 5.25033810
C 8.32583211 -5.02815358 4.86747736
H 9.19790155 -6.92289013 4.36349372
H 8.16641559 -6.99012589 5.75228944
O 9.08783101 -4.02893169 4.80308494
?s 7.35056708 -4.92691895 4.66973678
N 11.85728702 -9.09128976 6.86532744
H 12.66840769 -8.50638021 6.84459322
C 10.65548087 -8.25731607 7.00908652
H 10.59125215 -7.58319102 6.18031866
C 9.39652760 -9.15193384 7.04940066
C 10.72260727 -7.45737479 8.30982622
H 9.31663739 -9.68575911 6.12564975
H 9.46737056 -9.84903927 7.85816995
C 8.15009077 -8.26068689 7.25003780
O 11.82222810 -7.09514001 8.80239537
N 7.50063210 -7.93593192 8.51831546
C 7.49701773 -7.64607245 6.24648877
H 7.78172532 -8.25712980 9.42273059
C 6.46734882 -7.13620828 8.25614964
N 6.40665690 -6.91928243 6.93192124
H 7.10878267 -8.34924372 5.53960954
H 5.79496646 -6.73161330 8.98325816
H 5.72409427 -6.34823793 6.47597897
?s 11.92040585 -9.72151991 7.63873792
C -1.54955677 -10.98417260 1.76458682
C -0.02257592 -11.17806384 1.83929535
C 0.57105671 -10.15703538 2.82234134
O -1.83798086 -9.65809454 1.31479939
O 0.54997948 -10.97712887 0.54658691
O 0.27800459 -8.83476284 2.36471273
H -1.45503905 -9.52598715 0.44398385
H 0.36404628 -10.08401267 0.24633598
H 0.64286830 -8.19496882 2.97922373
H -1.96502677 -11.69416813 1.08007596
H -1.97578895 -11.13279233 2.73498016
H 0.19474393 -12.17016293 2.17548165
H 0.14259616 -10.30226515 3.78996580
H 1.63204025 -10.28837793 2.87815812