Error via Link L502!!!
Dear CCL Users,
I have been trying to calculate the rotation barrier in a
benzamidoxime by the method B3LYP/6-31G* using the keyword "Scan" in
the
Gaussian 98, however after the last step the program stop and write the
messages bellow:
> Requested convergence on MAX density matrix=1.00D-06.
> Integral accuracy reduced to 1.0D-05 until final iterations.
> Problem detected with inexpensive integrals.
> Switching to full accuracy and repeating last cycle.
> Warning! Spurious integrated density:
> NE= 72 NElCor= 0 Integral= 0.00000 Tolerance=1.00D-03
> Consistency failure #2 in CalDSu.
> Error termination via Lnk1e in
/net/frevo/export/local/bin//g98/l502.exe.
> Job cpu time: 0 days 7 hours 32 minutes 24.1 seconds.
> File lengths (MBytes): RWF= 29 Int= 0 D2E= 0 Chk= 11
Scr= 1
How do I solve this problem?
Thanks for any help!
Sidney Ramos
DQF - CCEN - UFPE