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ÔÚ¼ÆËãNLMOʱ£¬³öÏÖ NATURAL LOCALIZED MOLECULAR ORBITAL (NLMO) ANALYSIS: Highest occupied NBOs are not at the beginning of the NBO list; The NLMO program is not currently set up to handle this. Illegal range for read: IUnit= 7 Address= -256 Length= -256 File length= 2384384. Error termination in NtrErr: NtrErr called from NtrIO. ¸ÃÔõô°ìÄØ£¿ÒòΪËã²»Í꣬µÃ²»µ½ÍêÕûµÄchkÎļþ£¬²»ÄÜ¿´NLMO¹ìµÀ¡£Çë½Ì´ó¼Ò£¬ÔõôËã²ÅÄÜËãÍê°¡ |
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- ×¢²á: 2013-08-28
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