Gaussian L1002 error

lp2014

Gaussian计算含C N H S原子的分子做优化计算【关键字：#p opt freq B3LYP 6-31G* scrf=(solvent=acetonitrile)，出现L1002错误，该如何解决呢？

错误如下：
(Enter /opt/apps/chemistry/Gaussian/g16/l1002.exe)
Minotr:  Closed shell wavefunction.
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111
NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  35.6880, EpsInf=   1.8069)
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        28979 words used for storage of precomputed grid.
Two-electron integrals replicated using symmetry.
          MDV=     104857600 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=      72.
AlAXAO:  NMat=   285 NPMax=   20 NPMax1=    0 MaxMat=    72 Max3X=T NPAlg=2.
   104806918 words are not enough for AlAXAO.
Error termination via Lnk1e in /opt/apps/chemistry/Gaussian/g16/l1002.exe at Mon Mar 26 20:29:27 2018.
Job cpu time:       0 days 13 hours 19 minutes  2.8 seconds.
Elapsed time:       0 days  0 hours 46 minutes 49.3 seconds.
File lengths (MBytes):  RWF=   3106 Int=      0 D2E=      0 Chk=     83 Scr=      1

谢谢

sobereva

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