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

adenine_3447

0 1
C 0.6115 2.3861 -0.0406
C 1.3713 -1.9711 0.3896
C -0.0675 0.3377 -0.0308
C -0.7161 -0.9096 -0.0706
C 1.3084 0.3714 0.2011
N -1.9953 -1.0227 -0.3227
N -0.4747 1.6053 -0.1640
N 1.7158 1.6491 0.1823
N 0.0309 -2.0251 0.1527
N 2.0108 -0.7706 0.4058
H 0.6015 3.4050 -0.1036
H 1.8952 -2.8310 0.5527
H -2.4178 -1.8530 -0.2402
H -2.4894 -0.2769 -0.5955
H -1.3848 1.9056 -0.3162

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

adenine_3447

0 1