高斯軟件,畫出苯環(huán)結構后,對其進行優(yōu)化時,點運行,出現(xiàn)錯誤
使用高斯軟件,畫出苯環(huán)結構后,對其進行優(yōu)化時,點運行,出現(xiàn)錯誤。麻煩大家給看看原因。
Entering Link 1 = F:\G09W\l1.exe PID= 5584.
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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,
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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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還不如貼上輸入文件
你好!感謝關注。我剛學習這個軟件。輸入文件就是苯環(huán)的那個gjf的文件。打開了這個畫好的苯環(huán)。點擊對號時,顯示的還正確,證明此方法可用。但是,點運行時,就出現(xiàn)以上這些了。您用過此軟件是嗎?
找到問題了,gjf的文件移動了位置,那個 %section那里顯示的還是原來路徑,這里它不會自己跟著變啊,還得手動改,呵呵。謝謝你啊!方便的話加個QQ
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感謝指導!只能送您4朵小紅花來兌現(xiàn)承諾了。無法發(fā)送金幣,系統(tǒng)提示您沒有按照應助帖的要求回復,我也不知道怎么弄了。找不到其它辦法來感謝了。
感謝指導!只能送您4朵小紅花來兌現(xiàn)承諾了。無法發(fā)送金幣,系統(tǒng)提示您沒有按照應助帖的要求回復,我也不知道怎么弄了。找不到其它辦法來感謝了。
感謝指導!只能送您4朵小紅花來兌現(xiàn)承諾了。無法發(fā)送金幣,系統(tǒng)提示您沒有按照應助帖的要求回復,我也不知道怎么弄了。找不到其它辦法來感謝了。