新手小白，努力学习中，导师让帮忙算一个比较大的分子，优化构型选的opt+fret，每次opt优化结束后，freq开始不久就计算停止，没有normal也没有error,找不到错在那里  

前面的设置
Gaussian 09:  EM64L-G09RevA.01  8-May-2009
                 9-Dec-2019
******************************************
%nprocshared=19
Will use up to   19 processors via shared memory.
%mem=30GB
%chk=2P.chk
------------------------------------------------------------
#p opt=cartesian freq=noraman b3lyp/genecp geom=connectivity



opt结束，freq开始

HE THAT FOLLOWS NATURE IS NEVER LOST.

                             -- BACON
Leave Link 9999 at Tue Dec 10 17:43:43 2019, MaxMem= 4026531840 cpu:       1.9
Job cpu time: 17 days 12 hours 37 minutes 13.4 seconds.
File lengths (MBytes):  RWF=   2335 Int=      0 D2E=      0 Chk=    232 Scr=      1
Normal termination of Gaussian 09 at Tue Dec 10 17:43:43 2019.
(Enter /home/zhaojzh/g09/l1.exe)
Link1:  Proceeding to internal job step number  2.
------------------------------------------------------------------
#P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq


这是后面停止的部分
The electronic state of the initial guess is 1-A.
Leave Link  401 at Tue Dec 10 17:44:55 2019, MaxMem= 4026531840 cpu:     817.1
(Enter /home/zhaojzh/g09/l502.exe)
Closed shell SCF:
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
Requested convergence on MAX density matrix=1.00D-06.
Requested convergence on             energy=1.00D-06.
No special actions if energy rises.
Using DIIS extrapolation, IDIIS=  1040.
Integral symmetry usage will be decided dynamically.
      1944360 words used for storage of precomputed grid.
IEnd=    15476322 IEndB=    15476322 NGot=  4026531840 MDV=  4015560201
LenX=  4015560201 LenY=  4011072159
Fock matrices will be formed incrementally for  20 cycles.

Cycle   1  Pass 1  IDiag  1:
FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=       0 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           0 NGrid=           0.
Symmetry not used in FoFCou.
FMM levels:  10  Number of levels for PrismC:   9
E= -7639.10304721754   
DIIS: error= 2.40D-08 at cycle   1 NSaved=   1.
NSaved= 1 IEnMin= 1 EnMin= -7639.10304721754     IErMin= 1 ErrMin= 2.40D-08
ErrMax= 2.40D-08 EMaxC= 1.00D-01 BMatC= 1.29D-12 BMatP= 1.29D-12
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com:  0.100D+01
Coeff:      0.100D+01
Gap=     0.073 Goal=   None    Shift=    0.000
RMSDP=2.33D-09 MaxDP=3.67D-07              OVMax= 1.10D-06

SCF Done:  E(RB3LYP) =  -7639.10304722     A.U. after    1 cycles
             Convg  =    0.2327D-08             -V/T =  1.9921
KE= 7.699665654625D+03 PE=-6.592698895678D+04 EE= 2.664969930393D+04
Leave Link  502 at Tue Dec 10 17:46:32 2019, MaxMem= 4026531840 cpu:    1838.5
(Enter /home/zhaojzh/g09/l801.exe)
Range of M.O.s used for correlation:     1  1988
NBasis=  1988 NAE=   475 NBE=   475 NFC=     0 NFV=     0
NROrb=   1988 NOA=   475 NOB=   475 NVA=  1513 NVB=  1513

**** Warning!!: The largest alpha MO coefficient is  0.12366693D+02


**** Warning!!: The smallest alpha delta epsilon is  0.73427924D-01

Leave Link  801 at Tue Dec 10 17:46:32 2019, MaxMem= 4026531840 cpu:       1.6
(Enter /home/zhaojzh/g09/l1101.exe)
Using compressed storage, NAtomX=   210.
Will process 211 centers per pass.
PrsmSu:  requested number of processors reduced to:   2 ShMem   1 Linda.
   1 Symmetry operations used in ECPInt.
ECPInt:  NShTT=  235641 NPrTT= 1569953 LenC2=   63235 LenP2D=  199049.
LDataN:  DoStor=T MaxTD1= 6 Len=  172
Number of processors reduced to   1 by ecpmxn.
Leave Link 1101 at Tue Dec 10 17:47:56 2019, MaxMem= 4026531840 cpu:    1447.4
(Enter /home/zhaojzh/g09/l1102.exe)
Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
Leave Link 1102 at Tue Dec 10 17:47:57 2019, MaxMem= 4026531840 cpu:      18.4
(Enter /home/zhaojzh/g09/l1110.exe)
Forming Gx(P) for the SCF density, NAtomX=   210.
Integral derivatives from FoFDir/FoFCou, PRISM(SPDF).
Do as many integral derivatives as possible in FoFDir.
G2DrvN: MDV=    4026530056.
G2DrvN: will do    27 centers at a time, making    8 passes doing MaxLOS=2.
G2DrvN:  IPasSy=1 do centers    0 through   26.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=    3107 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           0 NGrid=           0.
Symmetry not used in FoFCou.
FMM levels:  10  Number of levels for PrismC:   9
G2DrvN:  IPasSy=1 do centers   27 through   53.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
G2DrvN:  IPasSy=1 do centers   54 through   80.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
G2DrvN:  IPasSy=1 do centers   81 through  107.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
G2DrvN:  IPasSy=1 do centers  108 through  134.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
G2DrvN:  IPasSy=1 do centers  135 through  161.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
G2DrvN:  IPasSy=1 do centers  162 through  188.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
G2DrvN:  IPasSy=1 do centers  189 through  210.
Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
FoFDir/FoFCou used for L=0 through L=2.
End of G2Drv Frequency-dependent properties file   721 does not exist.
End of G2Drv Frequency-dependent properties file   722 does not exist.
Leave Link 1110 at Tue Dec 10 19:16:25 2019, MaxMem= 4026531840 cpu:  100843.1
(Enter /home/zhaojzh/g09/l1002.exe)
Minotr:  Closed shell wavefunction.
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=1111111111
          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.
          MDV=    4026529736 using IRadAn=       2.
Generate precomputed XC quadrature information.
          Solving linear equations simultaneously, MaxMat=      76.
FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=       0 IOpCl=  0
         NMat0=   76 NMatS0=   76 NMatT0=    0 NMatD0=   76 NMtDS0=    0 NMtDT0=    0
         I1Cent=           0 NGrid=           0.
Symmetry not used in FoFCou.
FMM levels:  10  Number of levels for PrismC:   9
          There are   633 degrees of freedom in the 1st order CPHF.  IDoFFX=5.
    633 vectors produced by pass  0 Test12= 7.19D-13 1.00D-09 XBig12= 1.45D+04 6.49D+01.
AX will form    76 AO Fock derivatives at one time.
    633 vectors produced by pass  1 Test12= 7.19D-13 1.00D-09 XBig12= 2.07D+03 7.30D+00.
    633 vectors produced by pass  2 Test12= 7.19D-13 1.00D-09 XBig12= 3.35D+01 9.19D-01.
    630 vectors produced by pass  3 Test12= 7.19D-13 1.00D-09 XBig12= 1.57D-01 2.85D-02.
    630 vectors produced by pass  4 Test12= 7.19D-13 1.00D-09 XBig12= 2.89D-04 9.61D-04.
    483 vectors produced by pass  5 Test12= 7.19D-13 1.00D-09 XBig12= 3.22D-07 2.34D-05.
     84 vectors produced by pass  6 Test12= 7.19D-13 1.00D-09 XBig12= 3.10D-10 6.45D-07.

然后就中断了，没有说normal也没有错误代码，不知道怎么继续，加了关键词cartesian也是这样，怎么办，每次算四天一个停止很崩溃 返回小木虫查看更多