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zhqq2010

银虫 (正式写手)

[求助] 高斯软件,画出苯环结构后,对其进行优化时,点运行,出现错误

使用高斯软件,画出苯环结构后,对其进行优化时,点运行,出现错误。麻烦大家给看看原因。



Entering Link 1 = F:\G09W\l1.exe PID=      5584.
  
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
                19-Jul-2020
******************************************
%chk=E:\Gauss given by xiaohua\Zr\benzene.chk
fname=E:\Gauss given by xiaohua\Zr\benzene.chk fd = -1

open-new-file
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zhqq2010

银虫 (正式写手)

送红花一朵
引用回帖:
2楼: Originally posted by aa小小佑 at 2020-07-19 10:08:26
还不如贴上输入文件

感谢指导!只能送您4朵小红花来兑现承诺了。无法发送金币,系统提示您没有按照应助帖的要求回复,我也不知道怎么弄了。找不到其它办法来感谢了。
7楼2020-07-26 19:26:54
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aa小小佑

银虫 (职业作家)

还不如贴上输入文件

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2楼2020-07-19 10:08:26
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zhqq2010

银虫 (正式写手)

引用回帖:
2楼: Originally posted by aa小小佑 at 2020-07-19 10:08:26
还不如贴上输入文件

你好!感谢关注。我刚学习这个软件。输入文件就是苯环的那个gjf的文件。打开了这个画好的苯环。点击对号时,显示的还正确,证明此方法可用。但是,点运行时,就出现以上这些了。您用过此软件是吗?
3楼2020-07-20 11:26:38
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aa小小佑

银虫 (职业作家)

引用回帖:
3楼: Originally posted by zhqq2010 at 2020-07-20 11:26:38
你好!感谢关注。我刚学习这个软件。输入文件就是苯环的那个gjf的文件。打开了这个画好的苯环。点击对号时,显示的还正确,证明此方法可用。但是,点运行时,就出现以上这些了。您用过此软件是吗?...

用过,你还要添加关键词的。你做什么要写上去,所以看下你的输入脚本就知道问题了

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4楼2020-07-20 12:02:16
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