| 查看: 1932 | 回复: 3 | |||
[求助]
Gaussian09W一运行立马报错2070但是输出文件里没有给出任何关于错误的信息就停止了 已有1人参与
|
Gaussian09W一运行立马报错2070但是输出文件里没有给出任何关于错误的信息就停止了 输出文件如下： 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; 输入文件如下： %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 |
回复此楼» 猜你喜欢
电催化氧化反应器现场运维，不可忽视的安全风险与防控措施
已经有0人回复
-
电池测试中dQ/dV怎么理解
已经有1人回复
-
物理化学论文润色/翻译怎么收费?
已经有91人回复
-
精细化工浓水做零排放，前端到底该配什么氧化工艺？
已经有0人回复
-
大湾区大学姚瑶课题组2027届博士生招生 （与中山大学联合培养）
已经有25人回复
-
北京工业大学2026年公开招聘公告
已经有0人回复
-
氯离子浓度对电催化处理效果的双重影响实测与参数优化
已经有0人回复
-
阴极协同电催化技术处理高盐难降解化工废水的机理与工程应用研究
已经有0人回复
-
核磁分析求助
已经有4人回复
-
有偿核磁分析求助
已经有0人回复
-
氧化铝浆液
已经有2人回复
2楼2022-06-30 15:43:12
paramecium86
版主 (著名写手)
- QC强帖: 5
- 应助: 588 (博士)
- 贵宾: 0.01
- 金币: 26762.8
- 红花: 349
- 帖子: 2031
- 在线: 1464.9小时
- 虫号: 2466443
- 注册: 2013-05-16
- 性别: GG
- 专业: 理论和计算化学
- 管辖: 量子化学
北北木3楼2022-06-30 23:35:24
4楼2022-07-03 15:26:07
