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

adenosine_3512

0 1
C -1.1394 -3.9484 0.3525
C -1.8981 0.4150 0.0029
C 2.0432 3.4500 0.6669
C -2.5818 -1.6057 0.1726
C -3.2499 -2.8405 0.2704
C -1.1866 -1.6004 0.1911
C 2.0159 1.9177 0.4740
C 2.3187 1.4234 -0.9633
C 1.2158 0.3794 -1.2465
C 0.5886 0.1337 0.1396
N -4.5551 -2.9405 0.2961
N -2.5000 -3.9738 0.3481
N -0.4852 -2.7605 0.2804
N -3.0100 -0.3415 0.0505
N -0.7714 -0.3250 0.1094
O 1.7982 3.7982 2.0252
O 3.6385 0.8858 -1.0510
O 1.6949 -0.8239 -1.8452
O 0.7166 1.4041 0.7871
H -0.6106 -4.8184 0.4130
H -1.9235 1.4323 -0.0960
H 3.0197 3.8467 0.3820
H 1.2796 3.9242 0.0470
H 2.7271 1.4777 1.1831
H 2.2544 2.2304 -1.6990
H 0.4700 0.8114 -1.9211
H 1.1985 -0.5878 0.6990
H -4.9582 -3.7836 0.2438
H -5.0876 -2.1770 0.3747
H 1.8336 4.7778 2.0466
H 4.2345 1.6227 -0.7998
H 0.9097 -1.4037 -1.9340

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

adenosine_3512

0 1