%mem=1gb
%nproc=4
%chk=temp.chk
#t b3lyp/6-31g* opt=(gdiis,loose)

cadaverine_4816

0 1
N 3.3195 -1.8242 -0.1016
N -2.8264 2.5216 -0.1016
C -2.3433 1.1388 -0.0859
C 1.8547 -1.8297 -0.0859
C 1.3065 -0.3881 -0.0822
C -0.8014 1.1024 -0.0822
C -0.2402 -0.3398 -0.0803
H 3.6206 -2.7986 -0.0440
H 3.6214 -1.3641 0.7598
H -3.8454 2.4807 -0.0440
H -2.4932 2.9596 0.7598
H -2.7349 0.6286 -0.9682
H -2.7373 0.6444 0.8054
H 1.5043 -2.3689 -0.9682
H 1.5200 -2.3660 0.8054
H 1.6820 0.1376 -0.9653
H 1.6836 0.1347 0.8017
H -0.4309 1.6317 -0.9653
H -0.4342 1.6322 0.8017
H -0.6120 -0.8655 0.8038
H -0.6132 -0.8672 -0.9630

--link1--
%mem=1gb
%nproc=4
%chk=temp.chk
#t pbe1pbe/3-21g** guess=read geom=checkpoint nmr

cadaverine_4816

0 1