第六讲GAUSSIAN主要作业类型与出错信息.pptVIP

GAUSSIAN 主要出错信息;2. Route 卡出错 #p b3lyp/6-31G* opt=(ts,noeigentest,nrsscale,z-mitrix) ------------------------------------------------------ QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. OPT=(TS,NOEIGENTEST,NRSSCALE,Z-MITRIX)   Last state=OPT2 TCursr=35601 LCursr= 36 Error termination via Lnk1e in /usr/local/g03/l1.exe at Tue Mar 28 08:57:23 2006.;3.没有标题 ------------------------ 0 1 h o 1 r1 h 2 r1 1 a1 ------------------------ Symbolic Z-matrix: Charge and multiplicity card seems defective: Charge is bogus. WANTED AN