Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 904  |  »Ø¸´: 9
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ducer001

Ìú³æ (³õÈëÎÄ̳)

[½»Á÷] ÇóÖú ¼ÆËãµ¥µãÄÜ

.comÎļþÈçÏ£º
%chk=E02p.chk
%mem=80MW  
%nproc=1
#p b3lyp/6-31G* pseudo=read gfinput            
            
E02p            
            
-1 2
(ϱß×ø±êÊ¡ÂÔ)

      ÎÒÏë¼ÆËã´øÒ»µ¥Î»¸ºµçºÉʱ·Ö×ÓµÄÄÜÁ¿£¬ÎÒÓõÄÊÇg03,µ«Ìá½»×÷ҵʱ³öÏÖÈçÏ´íÎ󣺠           
Bad NGIC in PInput.
Error termination via Lnk1e in /home/soft/g03/l301.exe
ÎÒµÚÒ»´ÎËãµ¥µãÄÜ£¬Çë¸ßÊÖ°ïÎÒ¿´¿´£¬ÄÄÀï³öÁËÎÊÌâ¡£
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

miaochangqing

ÓÃʲô»ù×éºÍÄã¼ÆËãµÄÌåϵ£¬Ô­×ÓÀàÐÍ£¬Ô­×ÓÊýÄ¿£¬ÄãµÄ¼ÆËãÄÜÁ¦ÓйØ
7Â¥2008-02-04 13:49:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

shalene

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

»ù×é»òØÍÊÆÓÐ´í¡£Ò²ÐíÊÇÑ¡ÔñµÄ»ù×é²»ºÏÊÊ£¬Ò²¿ÉÄÜÊÇØÍÊÆ¸ñʽ´íÁË¡£
ÁíÍâÒõÀë×Ó×îºÃ¼ÓÉÏÃÖÉ¢º¯Êý
2Â¥2008-02-04 13:25:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ducer001

Ìú³æ (³õÈëÎÄ̳)

лл£¬ÎÒ×öµÄÊÇ´¿Óлú·Ö×Ó£¬ÌýʦÐÖ˵²»ÓÃØÍÊÆµÄ¡£²»Ã÷°×°¡¡£¡£¡£
3Â¥2008-02-04 13:28:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

miaochangqing

È¥µô pseudo=read ¹Ø¼ü´Ê¾Í¿ÉÒÔÁË
4Â¥2008-02-04 13:31:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] µ÷¼ÁÇóÖú£¨ÉúÎïÓëÒ½Ò©£© +5 @6952 2026-04-06 5/250 2026-04-07 20:31 by syh9288
[¿¼ÑÐ] ÉúÎïѧ363µ÷¼ÁÇóÖú +7 fanzhang6666 2026-04-06 9/450 2026-04-07 17:37 by lijunpoly
[¿¼ÑÐ] 081700»¯Ñ§¹¤³ÌÓë¼¼Êõ Ò»Ö¾Ô¸Öк£Ñó 323 Çóµ÷¼ÁѧУ +19 ÅûÐÇºÓ 2026-04-03 19/950 2026-04-07 15:14 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 0854Çóµ÷¼Á +9 ºàÊÏ·¬ÇÑɳ˾ 2026-04-06 10/500 2026-04-07 14:37 by shdgaomin
[¿¼ÑÐ] 285Çóµ÷¼Á +16 ŶßϺôo 2026-04-04 16/800 2026-04-07 12:31 by 1018329917
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸Î÷ÄϽ»Í¨´óѧ085701»·¾³¹¤³Ì 282·Ö +13 ¶à¶à°®³Ôºº±¤ 2026-04-04 14/700 2026-04-07 11:22 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] Èí¹¤Ñ§Ë¶299Çóµ÷¼Á +6 useryy 2026-04-07 6/300 2026-04-07 09:50 by vgtyfty
[¿¼ÑÐ] 312Çóµ÷¼Á +4 LR6 2026-04-06 4/200 2026-04-07 08:42 by jp9609
[¿¼ÑÐ] 281Çóµ÷¼Á +8 Ò¬×ÓÄ¢¹½ 2026-04-06 8/400 2026-04-06 10:38 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©µ÷¼Á +4 Ê®Æßsa 2026-04-05 4/200 2026-04-05 20:05 by lys0704
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +13 Ò»ÑùYWY 2026-04-03 14/700 2026-04-05 18:20 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µ÷¼Á +8 ÐܶþÏëÉϰ¶ 2026-04-04 8/400 2026-04-05 05:27 by houyaoxu
[¿¼ÑÐ] 324Çóµ÷¼Á +9 ÏëÉÏѧÇóµ÷ 2026-04-03 9/450 2026-04-04 23:57 by ¹û¶³´óÍõ
[¿¼ÑÐ] 309Çóµ÷¼Á +6 ÁõÁõÁõ1231 2026-04-02 7/350 2026-04-04 13:41 by liucky
[¿¼ÑÐ] Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-04 3/150 2026-04-04 12:19 by Éá¶øºóµÃ
[¿¼ÑÐ] һ־Ը˫·Ç085502£¬267·Ö£¬¹ýËļ¶Çóµ÷¼Á +3 ÔÙæҲҪ³Ô·¹°¡ 2026-04-03 3/150 2026-04-04 05:03 by gswylq
[¿¼ÑÐ] »¯¹¤Çóµ÷¼Á +11 ÀóÏã֥ʿҬÄÌ 2026-04-03 11/550 2026-04-03 22:06 by à£à£à£0119
[¿¼ÑÐ] ÍÁľˮÀû328·ÖÇóµ÷¼Á +6 ¼²·çÖª¾¢²Ý666 2026-04-02 6/300 2026-04-03 11:38 by znian
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +8 Ë«ÂíβƦÀϰå2 2026-04-02 9/450 2026-04-02 14:45 by 5896
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +9 Ë«ÂíβƦÀϰå2 2026-04-01 9/450 2026-04-02 12:14 by oooqiao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û