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

creatine_3594

0 1
C 0.8567 -1.2370 -0.1871
N 0.3016 -0.0770 0.1749
N 2.1180 -1.4633 -0.1858
C -1.5607 1.5807 -0.3411
C -1.0424 0.2290 -0.2020
O -2.7620 1.7900 -0.2361
N 0.1908 -2.2767 -0.5644
O -0.8613 2.5497 -0.6076
C 0.9898 0.7418 1.1106
H 2.4660 -2.2942 -0.4420
H -1.2817 -0.2009 -1.1810
H -1.6727 -0.2949 0.5242
H 0.6268 -3.0915 -0.7127
H -0.7348 -2.2303 -0.6841
H -1.2131 3.3558 -0.6652
H 2.0581 0.8417 0.9011
H 0.8803 0.3079 2.1067
H 0.6406 1.7692 1.1916

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

creatine_3594

0 1