%chk=000274754.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274754

0 1
S -3.161304 -0.771961 -1.277229
O -3.367706 0.336512 -0.059576
O -4.746128 -0.611709 -1.755514
O -2.299614 -0.218875 -2.272780
O -2.948223 -2.072940 -0.743054
N -0.024878 1.704484 0.564947
C 1.027794 1.193297 -0.380560
C 2.400984 1.410568 0.295873
C 0.777308 -0.289589 -0.732911
C 3.558589 1.211220 -0.689614
C 0.656960 -1.209782 0.486862
C -1.394044 1.764446 -0.016668
C 4.915247 1.446565 -0.012275
C 0.333303 -2.652985 0.082948
C -2.237772 0.742059 0.778200
C 6.076247 1.244647 -0.996319
C 0.390039 -3.599065 1.291049
C -2.901372 1.323850 2.012413
C 7.429523 1.477449 -0.328269
C 0.011329 -5.027220 0.904006
H 1.009735 1.772151 -1.344517
H 2.457464 2.426286 0.732262
H 2.504303 0.714983 1.153304
H 1.605895 -0.639978 -1.381240
H -0.132237 -0.368635 -1.364094
H 3.445204 1.894840 -1.552958
H 3.521559 0.185466 -1.108873
H -0.133518 -0.823771 1.170434
H 1.595619 -1.174747 1.072908
H 0.240164 2.628210 0.919096
H -1.834711 2.778684 0.065342
H -1.419124 1.522149 -1.105833
H 5.031148 0.760587 0.849045
H 4.956256 2.468428 0.410819
H 1.035630 -3.000633 -0.697518
H -0.676049 -2.703036 -0.378686
H -1.634789 -0.173145 1.025967
H 6.038968 0.220540 -1.417062
H 5.962716 1.929874 -1.859049
H 1.404709 -3.586680 1.733520
H -0.293339 -3.236019 2.083506
H -3.601617 2.129390 1.758584
H -2.145211 1.730419 2.698032
H -3.475080 0.561091 2.554651
H 7.590826 0.787642 0.508029
H 8.251619 1.329885 -1.037597
H 7.515654 2.496117 0.066369
H 0.689782 -5.434023 0.146306
H -1.003893 -5.071197 0.489420
H 0.042269 -5.695872 1.770402
H -5.282231 0.007822 -1.216498


%chk=000274754-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274754

0 1
S -3.780907 0.124169 -1.830411
O -3.721505 0.692871 -0.038991
O -5.508023 -0.409408 -1.616871
O -3.788304 1.304546 -2.912867
O -2.788344 -1.131294 -2.010136
N -0.074548 1.687126 0.420793
C 1.002380 1.131819 -0.447072
C 2.364759 1.465719 0.209753
C 0.792627 -0.383911 -0.714492
C 3.593202 1.049926 -0.628597
C 0.901486 -1.298949 0.525059
C -1.444696 1.734512 -0.109522
C 4.926052 1.539916 -0.018874
C 0.455434 -2.748914 0.227060
C -2.355903 0.671441 0.561115
C 6.165249 1.115249 -0.839392
C 0.550392 -3.683471 1.454238
C -2.608540 0.962940 2.044006
C 7.491871 1.617416 -0.229805
C 0.103950 -5.129164 1.145003
H 0.981046 1.635612 -1.447659
H 2.411719 2.564442 0.377502
H 2.413537 0.994759 1.210920
H 1.529726 -0.702460 -1.478068
H -0.199144 -0.530339 -1.189853
H 3.492134 1.452926 -1.658077
H 3.625351 -0.053758 -0.726916
H 0.283833 -0.876663 1.343597
H 1.945766 -1.310519 0.899427
H 0.213136 2.560617 0.873596
H -1.905037 2.727896 0.059943
H -1.442405 1.568703 -1.210123
H 5.022708 1.151294 1.016762
H 4.906790 2.646919 0.065954
H 1.073557 -3.163841 -0.596832
H -0.588897 -2.741108 -0.150937
H -1.922307 -0.338321 0.430788
H 6.188362 0.009119 -0.918368
H 6.064150 1.498157 -1.875527
H 1.594460 -3.689268 1.829249
H -0.071244 -3.270481 2.275368
H -3.142513 1.921128 2.171199
H -1.617628 1.033906 2.530204
H -3.191750 0.160504 2.524787
H 7.632572 1.222184 0.794106
H 8.361355 1.302447 -0.835519
H 7.506263 2.722029 -0.166854
H 0.734179 -5.576977 0.353495
H -0.943358 -5.151861 0.788922
H 0.172605 -5.776823 2.038540
H -5.641599 -0.464963 -0.624022


