%chk=000200771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200771

0 1
S 2.268530 1.992396 -0.502067
O -2.644630 2.664198 0.013415
N -1.266135 0.782028 0.172002
N 0.709884 -0.610637 0.093608
C 0.815053 1.878604 0.577715
C -0.222850 2.945622 0.259231
C 0.139030 0.542325 0.272730
C -1.543399 2.196071 0.132729
C -2.268429 -0.252320 0.034680
C 2.960024 0.396797 -0.255583
C 2.129938 -0.704801 0.042462
C -2.110390 -1.478732 0.701812
C -3.408566 -0.002060 -0.749327
C 4.337942 0.237140 -0.397594
C 2.706476 -1.976689 0.221442
C 4.899359 -1.032073 -0.229372
C 4.086139 -2.129380 0.083924
C -3.099145 -2.456238 0.570353
C -4.387464 -0.991118 -0.861477
C -4.236849 -2.217818 -0.206960
H 1.131229 1.919004 1.648149
H -0.018678 3.497071 -0.685436
H -0.291108 3.728292 1.041281
H -1.223015 -1.679727 1.302067
H -3.540797 0.956914 -1.253309
H 4.976400 1.089615 -0.634199
H 2.065345 -2.828513 0.452612
H 5.974253 -1.167589 -0.339543
H 4.535363 -3.113846 0.218013
H -2.978944 -3.411683 1.080189
H -5.274186 -0.801228 -1.465925
H -5.002681 -2.984525 -0.302521


%chk=000200771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200771

0 1
S 2.279154 2.069062 -0.665273
O -2.731009 2.675344 0.271326
N -1.262957 0.795753 0.189563
N 0.704196 -0.590011 0.108921
C 0.825326 1.909161 0.536586
C -0.261964 2.972511 0.329338
C 0.136945 0.574423 0.257096
C -1.578688 2.187863 0.272529
C -2.258958 -0.239681 0.031682
C 2.979587 0.403584 -0.320628
C 2.120662 -0.680888 0.049234
C -2.126756 -1.464521 0.729473
C -3.374967 -0.011499 -0.809603
C 4.366902 0.198310 -0.481141
C 2.705554 -1.954657 0.281594
C 4.925683 -1.078741 -0.250947
C 4.092586 -2.154019 0.142067
C -3.116137 -2.459066 0.581097
C -4.359685 -1.012986 -0.945742
C -4.235785 -2.239251 -0.253888
H 1.239410 1.915848 1.559587
H -0.144368 3.509830 -0.630342
H -0.307426 3.726762 1.129923
H -1.254851 -1.639716 1.362727
H -3.480371 0.938446 -1.338229
H 5.010352 1.036674 -0.769653
H 2.034593 -2.775521 0.553416
H 6.003582 -1.228540 -0.372911
H 4.522788 -3.144158 0.325766
H -3.010870 -3.406474 1.120768
H -5.223039 -0.832268 -1.595000
H -5.001792 -3.014475 -0.364235


