%chk=000278337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278337

0 1
S -0.419294 -0.412492 1.284438
O -0.370025 -1.369938 2.375548
O -1.003075 0.899397 1.511956
N -1.274959 -1.141115 -0.013708
N -4.153183 0.974419 -1.277990
C -2.725622 -0.819940 -0.261918
C -2.756167 0.600081 -0.908597
C -3.514829 -0.843941 1.056579
C -3.279363 -1.870823 -1.236254
C 1.168969 -0.249497 0.629868
C 1.422231 0.672597 -0.390820
C 2.213623 -1.031585 1.136370
C 3.759505 0.020727 -0.409143
C 2.709396 0.808803 -0.911770
C 3.502721 -0.901143 0.621503
C 5.140507 0.174123 -0.951941
H -2.143852 0.585045 -1.836180
H -2.278593 1.333568 -0.215485
H -1.069670 -2.133319 -0.189963
H -3.271801 0.013782 1.701168
H -3.323252 -1.752923 1.638588
H -4.594440 -0.810145 0.871360
H -2.656882 -1.965190 -2.132840
H -3.380500 -2.856902 -0.776271
H -4.277131 -1.563727 -1.589050
H -4.146519 1.864679 -1.768181
H -4.711161 1.110451 -0.438817
H 0.612027 1.294729 -0.783467
H 2.018118 -1.747028 1.945529
H 2.899853 1.528978 -1.704898
H 4.310633 -1.510681 1.021653
H 5.700081 0.930935 -0.378959
H 5.719807 -0.758401 -0.900355
H 5.148246 0.497876 -2.002049


%chk=000278337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278337

0 1
S -0.420916 -0.198036 1.270685
O -0.387270 -1.211548 2.554386
O -0.972649 1.326667 1.435380
N -1.320211 -0.970907 -0.201800
N -4.515090 0.902120 -1.090028
C -2.824502 -0.784340 -0.265151
C -3.089991 0.650413 -0.837360
C -3.546930 -0.989762 1.086550
C -3.289488 -1.847293 -1.291567
C 1.331408 -0.139933 0.575190
C 1.660003 0.870898 -0.343038
C 2.251063 -1.091993 1.037834
C 3.955631 -0.034166 -0.398414
C 2.984551 0.912696 -0.826443
C 3.571894 -1.029388 0.536871
C 5.380220 0.041074 -0.916992
H -2.489861 0.744790 -1.764787
H -2.684595 1.381461 -0.114694
H -1.090755 -1.980717 -0.080622
H -3.203470 -0.257798 1.839650
H -3.374829 -2.004856 1.488206
H -4.629872 -0.843677 0.930921
H -2.723829 -1.760703 -2.237030
H -3.173970 -2.874939 -0.897664
H -4.359975 -1.672213 -1.495953
H -4.814253 0.915039 -2.064018
H -4.957607 1.616820 -0.514276
H 0.911255 1.604928 -0.656244
H 1.945868 -1.837854 1.779284
H 3.269978 1.689882 -1.545052
H 4.311488 -1.760991 0.881336
H 5.914024 0.906954 -0.480884
H 5.954322 -0.866057 -0.663546
H 5.403757 0.164829 -2.014825


