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

putrescine_3434

0 1
N -2.3101 2.1440 -0.1153
N 2.3101 -2.1440 -0.1153
C 1.8271 -0.7612 -0.0980
C -1.8271 0.7612 -0.0980
C -0.2839 0.7199 -0.0952
C 0.2839 -0.7199 -0.0952
H -3.3295 2.1057 -0.0606
H -1.9795 2.5846 0.7463
H 3.3295 -2.1057 -0.0606
H 1.9795 -2.5846 0.7463
H 2.2199 -0.2514 -0.9805
H 2.2223 -0.2678 0.7928
H -2.2199 0.2514 -0.9805
H -2.2223 0.2678 0.7928
H 0.0846 1.2516 -0.9779
H 0.0822 1.2506 0.7885
H -0.0846 -1.2516 -0.9779
H -0.0822 -1.2506 0.7885

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

putrescine_3434

0 1