CCL:G: Gaussian trouble optimising Ru complex.



 Sent to CCL by: "jacqueline  cawthray" [jcawth01() gmail.com]
 Hi
 I am having trouble optimising a Ru complex in Gaussian. The job runs for
 quite sometime before crashing. I have included the input and output error
 below. As I am not even clear what the actual error is, I'm not sure where to
 start. I did try to restart the job but it failed also. If anyone can suggest
 anything, it would be greatly appreciated.
 %chk=RuL1.chk
 %mem=1600MB
 %nproc=2
 #p gfprint gfinput iop(6/7=3)
 # opt b3lyp/Gen Pseudo=read geom=connectivity
 L1
 0 1
  Ru
  P                  1              B1
  P                  1              B2    2              A1
  O                  1              B3    2              A2    3
 D1
  C                  2              B4    1              A3    3
 D2
  C                  4              B5    1              A4    2
 D3
  C
 etc etc
 102 104 1.5 106 1.0
  103
  104 107 1.0
  105
  106
  107
 C O N H Cl P 0
 6-31+G(d,p)
 ****
 Ru 0
 LANL2DZ
 ****
 Ru 0
 LANL2DZ
 OUTPUT
  Cartesian Forces:  Max     0.036181262 RMS     0.004409587
  Leave Link  716 at Fri Nov 19 17:00:33 2010, MaxMem=  157286400 cpu:
 0.3
  (Enter /global/scratch/software/gaussian/g09/l103.exe)
  GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
  Berny optimization.
  Using GEDIIS/GDIIS optimizer.
  Eigenvalue   315 is   0.00D+00 should be greater than     0.000001
 Eigenvector:
                          A135      A194      A193       D15       D43
    1                    0.83652  -0.40474  -0.28226  -0.13656  -0.13628
                           D16       D17       D13       D14       D41
    1                    0.05988   0.05530   0.05252   0.04346   0.04002
  NTrRot=    -1 NTRed=   614 NAtoms=   107 NSkip=   299 IsLin=F
  Error in internal coordinate system.
  Error termination via Lnk1e in
 /global/scratch/software/gaussian/g09/l103.exe at Fri Nov 19 17:00:34 2010.
  Job cpu time: 13 days 19 hours 31 minutes 59.8 seconds.