%mem=1gb
%nproc=2
%chk=temp.chk
#t b3lyp/6-31g* opt=gdiis

ADA_694467

0 1
N 0.0807 -0.0997 -0.1650
C 1.5693 -0.3368 -0.1841
C 2.0539 -1.7071 -0.2594
O 2.5623 -2.1622 -1.2730
O 2.0069 -2.4600 0.7065
C -0.3193 1.3332 -0.4112
C 0.1232 2.0053 -1.6230
O -0.6335 2.2211 -2.5600
O 1.2685 2.4266 -1.7400
C -0.6266 -0.7214 1.0136
C -2.0751 -0.8606 0.9728
O -2.6120 -1.9340 0.7321
N -2.8719 0.1081 1.2348
H 2.0330 0.1492 0.6790
H 2.0010 0.1542 -1.0573
H 2.2873 -3.2928 0.6514
H -0.0217 1.9499 0.4420
H -1.4081 1.3898 -0.4458
H 1.5291 2.8412 -2.4724
H -0.3486 -0.1943 1.9311
H -0.2679 -1.7387 1.1665
H -3.7975 -0.0294 1.2346
H -2.5330 0.9583 1.4269

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

ADA_694467

0 1