Hi,
While the geometry optimization is running, Gaussian crashes/terminates without an error message. Final part of "population analysis using the SCF density", Gaussian cannot enter the Link 702 (L702.exe) which lead to termination of the run? My input parameters are these for maltose:
#P HF Sto-3G opt(maxcycle=100) scf(xqc,tight,maxcycle=512)
The final part of the log file is the following: (all output is at the attachment)
Sum of Mulliken charges= 0.00000
Electronic spatial extent (au): <R**2>= 9449.1250
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.9835 Y= -1.9725 Z= 0.9356 Tot= 2.3944
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -118.2584 YY= -115.1066 ZZ= -123.4383
XY= -5.1190 XZ= 4.5866 YZ= -6.0068
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.6760 YY= 3.8279 ZZ= -4.5039
XY= -5.1190 XZ= 4.5866 YZ= -6.0068
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= -6.6524 YYY= 5.1688 ZZZ= -0.9942 XYY= 13.1244
XXY= -53.2863 XXZ= 46.9203 XZZ= 11.3085 YZZ= -10.2511
YYZ= 3.9350 XYZ= -20.6543
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -7177.6926 YYYY= -2136.4849 ZZZZ= -367.7532 XXXY= -34.5968
XXXZ= 17.7703 YYYX= -186.6788 YYYZ= -13.7190 ZZZX= 9.7745
ZZZY= -7.8001 XXYY= -1500.3988 XXZZ= -1263.1324 YYZZ= -454.4073
XXYZ= -145.3724 YYXZ= 85.0839 ZZXY= 1.5346
N-N= 2.265697458644D+03 E-N=-7.537126669665D+03 KE= 1.262600818345D+03
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Tue May 28 11:22:11 2013, MaxMem= 209715200 cpu: 0.0
(Enter C:\G03W\l701.exe)
Compute integral first derivatives.
... and contract with generalized density number 0.
Leave Link 701 at Tue May 28 11:22:13 2013, MaxMem= 209715200 cpu: 1.0
Thanks