%mem=1gb
%nproc=10
%chk=temp.chk
#t b3lyp/6-31g* opt=(gdiis,loose)

Benzonitrile_12002

0 1
N -1.7742 -3.0731 -0.0000
C -0.5493 -0.9514 -0.0000
C 0.8637 -0.9461 0.0000
C -1.2512 0.2749 0.0000
C 1.5655 0.2742 -0.0000
C -0.5453 1.4928 -0.0000
C 0.8620 1.4931 0.0000
C -1.2001 -2.0786 -0.0000
H 1.3993 -1.8202 0.0000
H -2.2760 0.3018 0.0000
H 2.5882 0.2752 0.0000
H -1.0558 2.3790 0.0000
H 1.3732 2.3785 -0.0000

--link1--
%mem=1gb
%nproc=10
%chk=temp.chk
#t pbe1pbe/3-21g** guess=read geom=checkpoint nmr

Benzonitrile_12002

0 1