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

hypoxanthine_149159

0 1
C 0.0533 2.2573 0.3100
C 0.7889 -2.0261 -0.3054
C -0.6401 0.2319 0.0707
C 0.7530 0.2603 -0.0397
C -1.2619 -1.0071 -0.0406
N -1.0490 1.4887 0.2767
N 1.4288 -0.8750 -0.2549
N 1.1676 1.5268 0.1122
N -0.5041 -2.0728 -0.2042
O -2.4762 -1.1215 0.0138
H 0.0482 3.2661 0.4669
H 1.3001 -2.8670 -0.4213
H -1.9652 1.7883 0.3867
H 2.3566 -0.8498 -0.3711

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

hypoxanthine_149159

0 1