%chk=000196920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196920

0 1
S -0.419016 1.002668 -2.241411
O -3.100394 1.887155 1.234317
N -0.998503 1.520656 0.283316
C -0.347268 0.415642 -0.485618
C -1.284666 -0.758456 -0.295741
C -0.787138 2.856108 -0.324849
C 1.083974 0.139169 -0.105124
C -0.867021 2.730200 -1.848897
C -2.422342 -0.337938 0.442417
C -2.319154 1.123457 0.722926
C -1.154310 -2.075968 -0.700560
C 1.897008 -0.594748 -0.980522
C 1.590785 0.580481 1.121811
C -3.433983 -1.223718 0.773399
C 3.225276 -0.877057 -0.629085
C 2.920114 0.297858 1.475264
C -2.186015 -2.975875 -0.369293
C -3.304458 -2.560973 0.354440
C 3.735679 -0.428794 0.598089
C 4.098408 -1.640717 -1.572380
C 3.461936 0.785916 2.780044
H 0.215823 3.224082 -0.005143
H -1.544997 3.569067 0.075997
H -1.881960 2.935067 -2.235343
H -0.167993 3.412494 -2.363036
H -0.281873 -2.414652 -1.256615
H 1.516164 -0.937229 -1.940867
H 0.955215 1.141856 1.807156
H -4.304314 -0.892230 1.340751
H -2.102619 -4.016365 -0.686056
H -4.088386 -3.276205 0.600889
H 4.766280 -0.644730 0.867893
H 3.541355 -2.407074 -2.127350
H 4.924518 -2.151343 -1.060574
H 4.546158 -0.964132 -2.316222
H 3.828814 1.818824 2.685355
H 2.699605 0.785073 3.571403
H 4.299796 0.175831 3.141819


%chk=000196920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196920

0 1
S -0.518413 0.961364 -2.485306
O -3.087641 2.009400 1.150490
N -1.002933 1.517150 0.117766
C -0.368952 0.399505 -0.587771
C -1.303831 -0.765595 -0.281735
C -0.690542 2.837583 -0.435852
C 1.092017 0.156191 -0.207695
C -0.938700 2.750004 -1.969024
C -2.407516 -0.290480 0.468187
C -2.276028 1.184690 0.650635
C -1.184421 -2.130224 -0.591295
C 1.985719 -0.481063 -1.098890
C 1.526081 0.483427 1.099439
C -3.433478 -1.150004 0.899530
C 3.307440 -0.795383 -0.701175
C 2.845859 0.188957 1.521093
C -2.215166 -3.003936 -0.163358
C -3.329403 -2.521994 0.571443
C 3.719221 -0.457991 0.612720
C 4.272141 -1.453406 -1.673062
C 3.315402 0.572858 2.914064
H 0.364224 3.087427 -0.227987
H -1.347593 3.581837 0.044789
H -1.996118 2.930967 -2.216368
H -0.289851 3.436356 -2.535370
H -0.322292 -2.512913 -1.146867
H 1.659105 -0.706768 -2.121101
H 0.824369 0.965541 1.790110
H -4.278747 -0.755295 1.472616
H -2.150538 -4.071490 -0.401616
H -4.109717 -3.221672 0.889745
H 4.741066 -0.700355 0.932837
H 3.753053 -2.158200 -2.346624
H 5.065654 -2.008601 -1.143062
H 4.768814 -0.697679 -2.312325
H 3.669777 1.621846 2.939721
H 2.500470 0.486074 3.654290
H 4.151967 -0.064732 3.249610


