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北北木

銅蟲 (初入文壇)

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[求助] Gaussian09W一運(yùn)行立馬報(bào)錯(cuò)2070但是輸出文件里沒有給出任何關(guān)于錯(cuò)誤的信息就停止了已有1人參與

Gaussian09W一運(yùn)行立馬報(bào)錯(cuò)2070但是輸出文件里沒有給出任何關(guān)于錯(cuò)誤的信息就停止了

輸出文件如下：
Entering Link 1 = G:\G09W\l1.exe PID=    1640.

Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
         Gaussian, Inc.  All Rights Reserved.

This is part of the Gaussian(R) 09 program.  It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.

This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.

This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.

The following legend is applicable only to US Government
contracts under FAR:

                  RESTRICTED RIGHTS LEGEND

Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.

Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492


---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc.  The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program.  By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------


Cite this work as:
Gaussian 09, Revision D.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, 2013.

******************************************
Gaussian 09:  IA32W-G09RevD.01 24-Apr-2013
            30-Jun-2022
******************************************
%mem=1300MB
%chk=G:\G09W\chek\2-propanimine.chk
-----------------------------------------------
# opt freq 6-311+g(2d,p) geom=connectivity apfd
-----------------------------------------------
1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3;
2/9=110,12=2,17=6,18=5,40=1/2;
3/5=4,6=6,7=112,11=2,16=1,25=1,30=1,71=1,74=-44/1,2,3;
4//1;
5/5=2,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
7//1,2,3,16;
1/14=-1,18=20,19=15,26=3/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/5=4,6=6,7=112,11=2,16=1,25=1,30=1,71=1,74=-44/1,2,3;
4/5=5,16=3,69=1/1;
5/5=2,38=5/2;
7//1,2,3,16;
1/14=-1,18=20,19=15,26=3/3(-5);
2/9=110/2;
6/7=2,8=2,9=2,10=2,19=2,28=1/1;
99/9=1/99;

輸入文件如下：
%mem=1300MB
%chk=G:\G09W\chek\2-propanimine.chk
# opt freq 6-311+g(2d,p) geom=connectivity apfd

2-propanimine

0 1
C                -0.73357539 -0.01523891 0.46320649
H                -0.12752823 -0.62099422 1.10403981
H                -0.10492937 0.60948090 -0.13631777
H                -1.32083264 -0.64485790 -0.17209567
C                -1.66539905 0.86364701 1.31811246
H                -1.88226529 2.60771037 2.25524264
C                -3.05938410 0.34567973 1.71825692
H                -2.99199826 -0.17648620 2.64976210
H                -3.73118155 1.17220216 1.82047659
H                -3.42352053 -0.31856312 0.96255454
N                -1.27718349 2.03700369 1.70011211

1 2 1.0 3 1.0 4 1.0 5 1.0
2
3
4
5 7 1.0 11 2.0
6 11 1.0
7 8 1.0 9 1.0 10 1.0
8
9
10
11

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1樓 2022-06-30 15:41:18

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paramecium86

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北北木: 金幣+5, ★★★很有幫助 2022-10-10 13:52:56

停在這個(gè)位置大體上內(nèi)存不夠。試試把%mem設(shè)置成 1000MB 再跑跑看。

贊一下

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北北木

3樓2022-06-30 23:35:24

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我照著 exploring chemistry with electronic structure methods 做的練習(xí)

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2樓2022-06-30 15:43:12

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送紅花一朵

引用回帖:

3樓: Originally posted by paramecium86 at 2022-06-30 23:35:24
停在這個(gè)位置大體上內(nèi)存不夠。試試把%mem設(shè)置成 1000MB 再跑跑看。

我再試試謝謝啦

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4樓2022-07-03 15:26:07

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