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xian123321Òø³æ (СÓÐÃûÆø)
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A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Restarting incremental Fock formation. Restarting incremental Fock formation. Restarting incremental Fock formation. Restarting incremental Fock formation. Restarting incremental Fock formation. Restarting incremental Fock formation. >>>>>>>>>> Convergence criterion not met. SCF Done: E(RB3LYP) = -6514.66606181 A.U. after 129 cycles Convg = 0.1205D-05 -V/T = 2.0070 Convergence failure -- run terminated. Error termination via Lnk1e in /home/lg//g09/l502.exe at Tue Nov 25 12:40:03 2014. Job cpu time: 0 days 11 hours 30 minutes 59.3 seconds. File lengths (MBytes): RWF= 599 Int= 0 D2E= 0 Chk= 41 Scr= 1 Õâ¸öÊÇʲôÔÒòÄØ£¬Ö®Ç°Ìû×ÓÀïÓеÄÄÇЩÎÒ¿´ÁË£¬Ò²¸ÄÁËһϣ¬»¹Êdzö´í ÎÒÓõĸß˹09 B3LYP/6-31+G** ÓÅ»¯µÄ£¬ÀÏÊdzö´í |
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