24小时热门版块排行榜    

查看: 1809  |  回复: 7
【悬赏金币】回答本帖问题,作者zhqq2010将赠送您 20 个金币
当前只显示满足指定条件的回帖,点击这里查看本话题的所有回帖

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
回复此楼
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

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。
8楼2020-07-26 19:27:06
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 8 个回答

aa小小佑

银虫 (职业作家)

还不如贴上输入文件

发自小木虫IOS客户端

» 本帖已获得的红花(最新10朵)

2楼2020-07-19 10:08:26
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

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
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

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

发自小木虫IOS客户端

» 本帖已获得的红花(最新10朵)

4楼2020-07-20 12:02:16
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
不应助 确定回帖应助 (注意:应助才可能被奖励,但不允许灌水,必须填写15个字符以上)
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[考研] 085600材料与化工 292分 求调剂 +4 程晴之 2026-03-06 4/200 2026-03-06 22:33 by bingxueer79
[考研] 新疆大学地质与矿业工程学院招生 +8 another12 2026-03-04 13/650 2026-03-06 16:38 by Ginger03
[考研] 085600材料与化工 298 调剂 +10 小西笑嘻嘻 2026-03-03 10/500 2026-03-06 16:14 by @飒飒飒飒
[考博] 2026年博士名额捡漏 +4 科研ya 2026-03-04 7/350 2026-03-06 16:05 by 科研ya
[考研] 材料与化工304求B区调剂 +4 邱gl 2026-03-06 4/200 2026-03-06 15:51 by 聪明的大松鼠
[考研] 不限学校专业的调剂同学看过来 +5 啊摆啊摆 2026-03-05 9/450 2026-03-06 12:06 by 啊摆啊摆
[考研] 287求调剂 +3 看看我. 2026-03-05 6/300 2026-03-06 10:40 by Iveryant
[考研] 材料专硕调剂 +4 慕辰123 2026-03-05 7/350 2026-03-06 10:22 by 慕辰123
[考研] 材料调剂 +4 L9370 2026-03-05 4/200 2026-03-05 19:36 by caszguilin
[考研] 一志愿东北大学080500,英一数二343分求调剂 +5 Seele_v5 2026-03-04 5/250 2026-03-05 13:26 by Iveryant
[考研] 材料类考研调剂 +7 gemmgemm 2026-03-01 8/400 2026-03-05 10:51 by 早安1234
[考研] 中国科学技术大学材料与化工281求调剂,有科研和获奖经历 +11 wsxw 2026-03-02 12/600 2026-03-05 09:49 by oxidpl
[考研] 070300化学 280 一志愿太原理工 求调剂 +8 拾玖壹 2026-03-04 8/400 2026-03-05 08:52 by anny19840123
[考研] 264求调剂 +8 26调剂 2026-03-03 8/400 2026-03-04 20:50 by 一切OK
[考研] 0703化学求调剂 +3 将未有期 2026-03-04 3/150 2026-03-04 16:19 by sslc1985
[考研] 0703化学学硕 288分 +4 旅行中的紫葡萄 2026-03-03 4/200 2026-03-03 23:41 by ch1979
[考研] 环境调剂 +8 chenhanheng 2026-03-02 8/400 2026-03-03 22:13 by 刘兵
[考研] 一志愿中科大能动297求调剂,本科川大 +3 邵11 2026-03-03 3/150 2026-03-03 14:50 by 新能源达人
[考研] 化工京区271求调剂 +7 11ing 2026-03-02 7/350 2026-03-03 07:30 by 利好利好.
[考研] 化学,材料,环境类求调剂 +7 考研版棒棒 2026-03-02 7/350 2026-03-02 19:56 by hypershenger
信息提示
请填处理意见