±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3378  |  »Ø¸´: 6
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ÕÔÎÄ»ª110

Òø³æ (ÕýʽдÊÖ)

[ÇóÖú] ¸ß˹L999´íÎó ÒÑÓÐ3È˲ÎÓë

%nprocshared=8
%chk=307.chk
# opt=(calcall,qst2,maxcycle=300) freq=noraman uhf/6-31g scf=qc geom=connectivity



THOSE WHO ARE UNABLE TO LEARN FROM PAST MEETINGS
ARE CONDEMNED TO REPEAT THEM.
Error termination request processed by link 9999.
Error termination via Lnk1e in /home/programs/g09/l9999.exe at Thu Mar  6 05:35:23 2014.
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÎÒÏàÐÅÎÒ¾ÍÊÇÎÒ£¬ÎÒÏàÐÅÃ÷Ì죬ÎÒÏàÐÅÇഺûÓÐµØÆ½Ïß
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lkui486

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÒýÓûØÌû:
2Â¥: Originally posted by ÕÔÎÄ»ª110 at 2014-03-05 17:13:30
ËäÈ»Êä³öÉϸøÁË´íÎóÀàÐ͵«¿´²»¶®£¬Çó½â

Õâ¾ÍÊÇÄãµÄmaxcycle²»¹»µÄ±¨´í¡£ÒòΪ²Å300¡£Ì«Ð¡ÁË¡£ÁíÍ⣬ÕÒ¹ý¶É̬ÓÃhfËÆºõÌ«´ÖÁË¡£ÖÁÉÙÒ²µÃ6-311G**¡£

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
3Â¥2014-03-05 18:56:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

ÕÔÎÄ»ª110

Òø³æ (ÕýʽдÊÖ)

ËäÈ»Êä³öÉϸøÁË´íÎóÀàÐ͵«¿´²»¶®£¬Çó½â
ÎÒÏàÐÅÎÒ¾ÍÊÇÎÒ£¬ÎÒÏàÐÅÃ÷Ì죬ÎÒÏàÐÅÇഺûÓÐµØÆ½Ïß
2Â¥2014-03-05 17:13:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

youyno

Òø³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+2 2014-03-06 00:52:30
ÆäʵÓÃHF×ö´ó¸ÅµÄɨÃ裬ÔÙÓøü¸ß¼¶µÄ·½·¨½øÒ»²½ÓÅ»¯Ò²²»Ê§ÎªÒ»Öֺð취¡£Äã¿ÉÒÔÒÔ×îºó½áÊøµÄ¹¹ÐͽÓ×ÅÓÅ»¯£¬¼Ó´óȦÊýÒ²ºÜºÃ

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
ƽÉú¶àÄ¥í£¬Äжù×ÔºáÐУ¡
4Â¥2014-03-05 19:30:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÕÔÎÄ»ª110

Òø³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by youyno at 2014-03-05 19:30:32
ÆäʵÓÃHF×ö´ó¸ÅµÄɨÃ裬ÔÙÓøü¸ß¼¶µÄ·½·¨½øÒ»²½ÓÅ»¯Ò²²»Ê§ÎªÒ»Öֺð취¡£Äã¿ÉÒÔÒÔ×îºó½áÊøµÄ¹¹ÐͽÓ×ÅÓÅ»¯£¬¼Ó´óȦÊýÒ²ºÜºÃ

àÅ£¬ÊÔÒ»ÏÂ
ÎÒÏàÐÅÎÒ¾ÍÊÇÎÒ£¬ÎÒÏàÐÅÃ÷Ì죬ÎÒÏàÐÅÇഺûÓÐµØÆ½Ïß
5Â¥2014-03-05 20:54:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸±±»¯085600²ÄÁÏר˶275|ÓÐÎÄÕÂרÀû£üÇóµ÷¼Á +7 Micky11223 2026-03-25 7/350 2026-03-28 18:34 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Çóµ÷¼Á +3 QiMing7 2026-03-25 4/200 2026-03-28 14:30 by QiMing7
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§Ñ§Ë¶307Çóµ÷¼Á +10 y7czhao 2026-03-26 10/500 2026-03-28 14:23 by ÌÆãå¶ù
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +9 ÄÌÓͲÝÝ®. 2026-03-22 10/500 2026-03-28 13:30 by ÌÆãå¶ù
[¿¼ÑÐ] µ÷¼Á +3 ºÃºÃ¶ÁÊé¡£ 2026-03-28 3/150 2026-03-28 12:04 by Íõ±£½Ü33
[¿¼ÑÐ] 292Çóµ÷¼Á +14 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 15/750 2026-03-28 08:45 by WYUMater
[¿¼ÑÐ] 286Çóµ÷¼Á +4 ¶ªµôÀÁ¶è 2026-03-27 7/350 2026-03-28 08:07 by baoball
[¿¼ÑÐ] 08¿ªÍ·275Çóµ÷¼Á +4 À­Ë­²»ÖØÒª 2026-03-26 4/200 2026-03-27 14:12 by Delta2012
[¿¼ÑÐ] 333Çóµ÷¼Á +3 questionÍì·ç 2026-03-23 3/150 2026-03-27 11:29 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 342Çóµ÷¼Á +3 ¼ÓÓÍaÀîzs 2026-03-26 3/150 2026-03-27 00:29 by wxiongid
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-03-26 3/150 2026-03-26 19:57 by nihaoar
[¿¼ÑÐ] Ò»Ö¾Ô¸211 ³õÊÔ270·Ö Çóµ÷¼Á +6 ¹ÈÓêÉϰ¶ 2026-03-23 7/350 2026-03-26 18:55 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 297Çóµ÷¼Á +6 ÌïºéÓÐ 2026-03-26 6/300 2026-03-26 15:55 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] »¯Ñ§µ÷¼ÁÒ»Ö¾Ô¸ÉϺ£½»Í¨´óѧ336·Ö-±¾¿ÆÉϺ£211 +4 СÓã°®Óлú 2026-03-25 4/200 2026-03-26 10:19 by aa331100
[¿¼ÑÐ] 347Çóµ÷¼Á +4 L when 2026-03-25 4/200 2026-03-25 13:37 by cocolv
[¿¼ÑÐ] 293Çóµ÷¼Á +7 ¼ÓÒ»Ò»¾Å 2026-03-24 7/350 2026-03-25 12:02 by userper
[¿¼ÑÐ] Çóµ÷¼ÁÒ»Ö¾Ô¸Î人Àí¹¤´óѧ²ÄÁϹ¤³Ì£¨085601£© +5 WW.' 2026-03-23 7/350 2026-03-24 14:50 by sprinining
[¿¼ÑÐ] 335Çóµ÷¼Á +4 yuyuÓî 2026-03-23 5/250 2026-03-23 23:49 by Txy@872106
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖØÇì´óѧ085700×ÊÔ´Óë»·¾³£¬×Ü·Ö308Çóµ÷¼Á +7 īīĮ 2026-03-23 8/400 2026-03-23 20:36 by Creta
[¿¼ÑÐ] 336»¯¹¤µ÷¼Á +4 Íõ´ó̹1 2026-03-23 5/250 2026-03-23 18:32 by allen-yin
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û