Subject: Frequency Job ends in error

From: Connie Chang <cc236 * ccmr.cornell.edu>
Date: Thu, 3 Mar 2005 19:58:43 -0500 (EST)

Hi,

I've been doing a frequency job with Gaussian 2003 using LINDA on 3
processors.  It seems to go smoothly, going through the passes fine:

 G2DrvN: will do   15 centers at a time, making   10 passes doing
MaxLOS=1.
 FoFDir/FoFCou used for L=0 through L=1.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 Integrals replicated using symmetry in FoFDir.
 MinBra= 0 MaxBra= 1 Meth= 1.
 IRaf=       0 NMat=  38 IRICut=      38 DoRegI=T DoRafI=T ISym2E= 2
JSym2E=2.
 Raff turned off since only 25.39% of shell-pairs survive.
          There are 114 degrees of freedom in the 1st order CPHF.
   114 vectors were produced by pass  0.
 AX will form  38 AO Fock derivatives at one time.
   114 vectors were produced by pass  1.
   114 vectors were produced by pass  2.
   114 vectors were produced by pass  3.
   114 vectors were produced by pass  4.
   114 vectors were produced by pass  5.
   114 vectors were produced by pass  6.
    66 vectors were produced by pass  7.
     9 vectors were produced by pass  8.
     3 vectors were produced by pass  9.
     3 vectors were produced by pass 10.
     3 vectors were produced by pass 11.
     3 vectors were produced by pass 12.
 Inv2:  IOpt= 1 Iter= 1 AM= 5.82D-15 Conv= 1.00D-12.
 Inverted reduced A of dimension  885 with in-core refinement.
 Isotropic polarizability for W=    0.000000      987.15 Bohr**3.
 End of Minotr Frequency-dependent properties file   721 does not exist.

But then it ends in error before outputing the frequencies while it's
calculating the moments and polarizability as below:

Dipole moment (field-independent basis, Debye):
    X=     0.0000    Y=     0.0000    Z=     0.0000  Tot=     0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=  -707.9020   YY=  -713.3250   ZZ=  -708.3146
   XY=     4.8215   XZ=     0.0000   YZ=     0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=     1.9452   YY=    -3.4778   ZZ=     1.5326
   XY=     4.8215   XZ=     0.0000   YZ=     0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=     0.0000  YYY=     0.0000  ZZZ=     0.0000  XYY=     0.0000
  XXY=     0.0000  XXZ=     0.0000  XZZ=     0.0000  YZZ=     0.0000
  YYZ=     0.0000  XYZ=     0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=-21294.4305 YYYY=*********** ZZZZ=-19713.7821 XXXY=    50.3524
 XXXZ=     0.0000 YYYX=   180.9205 YYYZ=     0.0000 ZZZX=     0.0000
 ZZZY=     0.0000 XXYY=-26587.1546 XXZZ= -6845.8383 YYZZ=-26329.8384
 XXYZ=     0.0000 YYXZ=     0.0000 ZZXY=     6.8062
 N-N= 3.011792284579D+04 E-N=-7.242684426247D+04  KE= 5.173672811341D+03
 Symmetry AG   KE= 1.371647114340D+03
 Symmetry BG   KE= 1.214487218707D+03
 Symmetry AU   KE= 1.214363252146D+03
 Symmetry BU   KE= 1.373175226148D+03
  Exact polarizability: 836.969  20.8651312.872   0.000   0.000 811.616
 Approx polarizability:2971.352 -45.5752983.449   0.000   0.0002978.129
 Tuple error for IPart= 1 tuple: CalDFT -- LT2D expected length    178929
found length     89465
 Error termination in TplErr.
 Error termination via Lnk1e at Thu Mar  3 19:02:13 2005.

Can someone tell me why this error is occurring and how I might fic it?

Thanks,

Connie