Dear all,

I tried to run Gaussian calculation for Graphene layer from the test file and have successfully optimized it. While I try to calculate the frequencies and other orbital analysis calculations, after some time it got terminated by showing the following error.

NBsAll too small in numerical quadrature.

Error termination via Lnk1e in C:\G09W\l1002.exe at Tue May 29 08:50:08 2018.

Job cpu time: 0 days 0 hours 1 minutes 20.0 seconds.

File lengths (MBytes): RWF= 48 Int= 0 D2E= 0 Chk= 5 Scr= 1

The input file is as follows:

%mem=20MW

#p opt=(tight,modredundant) freq=raman lsda/sto-3g fmm=levels=2 pop=reg

scf=(novaracc,vshift=-1)

Gaussian Test Job 535: Optimization a graphite sheet

0 1

C 0.00004095 0.71681900 0.00000000

C 0.00004504 -0.71738800 0.00000000

C -1.24159410 1.43367250 0.00000000

C 1.24168010 -1.43424050 0.00000000

Tv 2.48326600 0.00000000 0.00000000

Tv -0.00000029 4.30212000 0.00000000

A 7 1 13 F

D * * * * F

Can anyone point out what could be the error and guide me to overcome it.

Regards,

V.Ragavendran