[交流] 【求助】频率计算出错 已有2人参与

****************************************** %chk=c2h4-doac-fre5.chk %mem=16MW %nproc=8 Will use up to    8 processors via shared memory. -------------------------------------------------- # freq mp2/6-311+g nosymm scf=qc geom=connectivity -------------------------------------------------- Warning:  trying to use only          -1. words of disk, but minimum is  1387348415.. In DefCFB: NBatch=  6, ICI= 50, ICA= 37, LFMax= 12              Large arrays: LIAPS=   740503200, LIARS=   177661050 words. GetRSB:  memory allocation inconsistency: NKFn= 4 NLFn= 4 MultRS=7 Length=          11 MxCon=    3618 LenTot=     1651633 MxConX=        1800 MxConY=         144 MxConZ=         200 MxCon4=          36 LimKL1=         448 LenKL1=           4 KShlTC=  1  0 LShlTC=  1  0 IDeriv=1 MxConW=       29440 NDeriv=  1 NKLPrm=         3 Error=           0 or    5*NOA*NBasis words. Cannot do any shell combinations in GetRSB. Error termination via Lnk1e in /home/program/g03/l811.exe at Thu Mar  3 21:47:27 2011. Job cpu time:  1 days  0 hours 41 minutes 15.3 seconds. File lengths (MBytes):  RWF=  10506 Int=      0 D2E=      0 Chk=      2 Scr=      1 结构又优化了很多遍，opt=tight，sfc=qc, nosymm都加上了，可是优化后的结构 进行频率计算还是出错，不知道怎么办了

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