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

Urocanate_4043

0 1
O 3.3759 -1.6576 -0.0000
O 1.7657 -2.9577 -0.0000
N -2.1729 0.3641 0.0000
N -1.6105 2.4853 0.0000
C 2.1564 -1.7991 0.0000
C 1.3302 -0.7245 -0.0000
C -0.0159 -0.7373 0.0000
C -0.8304 0.3832 0.0000
C -2.6359 1.6221 0.0000
C -0.4966 1.7403 0.0000
H 3.7381 -0.8539 -0.0000
H -2.7264 -0.4331 -0.0000
H 1.7825 0.1608 -0.0000
H -0.4845 -1.6156 -0.0000
H -3.6210 1.8888 -0.0000
H 0.4453 2.1343 0.0000

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

Urocanate_4043

0 1