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

Choline_3414

1 1
O -3.0893 1.0038 -0.0000
N 0.5385 -0.3662 0.0000
C -1.6705 1.0799 -0.0000
C -0.9784 -0.3119 -0.0000
C 0.9911 -1.8079 -0.0000
C 1.1018 0.2955 1.2327
C 1.1018 0.2955 -1.2327
H -3.3707 1.9446 -0.0000
H -1.3936 1.6512 0.8856
H -1.3936 1.6512 -0.8856
H -1.3750 -0.8485 -0.8696
H -1.3750 -0.8485 0.8696
H 0.6363 -2.3574 -0.8766
H 0.6363 -2.3574 0.8766
H 0.7078 -0.1475 2.1524
H 2.1913 0.2240 1.2890
H 0.8802 1.3639 1.2793
H 2.1913 0.2240 -1.2890
H 0.7078 -0.1475 -2.1524
H 0.8802 1.3639 -1.2793
H 2.0818 -1.9047 -0.0000

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

Choline_3414

1 1