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

Nicotinamide_3453

0 1
O 2.4259 1.0503 -0.1304
N 2.4643 -1.0405 0.0133
N -1.7726 -1.0866 0.0131
C 1.7569 0.0310 -0.0339
C 0.3609 0.0550 0.0019
C -0.4165 -1.1310 0.0109
C -2.4691 0.0746 0.0098
C -0.3692 1.2724 0.0096
C -1.7765 1.2960 0.0108
H 3.3831 -1.0074 -0.1609
H 2.0698 -1.8623 0.2192
H 0.0084 -2.0598 0.0089
H -3.4900 0.0508 0.0063
H 0.1120 2.1757 0.0109
H -2.2875 2.1817 0.0103

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

Nicotinamide_3453

0 1