%chk=000233761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233761

0 1
S -0.001366 -0.886183 2.010985
O 3.704260 3.389499 -1.062025
O 1.419731 -1.774657 1.646026
O 0.473038 0.455025 2.380140
N 3.389426 0.729168 -0.069294
C 2.361973 1.785438 0.212549
C 4.026093 0.983959 -1.404198
C 2.789326 -0.640485 -0.017196
C 3.053688 3.154561 0.207066
C 4.680830 2.375624 -1.369349
C 2.642980 -1.057019 1.458141
C -0.661845 -0.814847 0.279290
C -1.492078 0.422015 0.140176
C -1.361646 -2.121401 0.050829
C -1.221600 1.320805 -0.904664
C -0.620735 -3.313302 0.158607
C -2.528938 0.709507 1.044660
C -2.719949 -2.191856 -0.293847
C -1.969246 2.494344 -1.034687
C -1.235904 -4.547881 -0.053061
C -3.270947 1.885404 0.910122
C -3.330183 -3.431538 -0.507671
C -2.993445 2.780999 -0.127618
C -2.593642 -4.612301 -0.384308
H 1.910841 1.591654 1.218667
H 1.523667 1.783538 -0.515952
H 3.305077 0.930197 -2.247237
H 4.802972 0.210194 -1.579042
H 3.462459 -1.355691 -0.536766
H 1.802465 -0.721736 -0.536056
H 2.331463 3.987457 0.261329
H 3.802436 3.240936 1.013723
H 5.494701 2.423230 -0.624091
H 5.047619 2.688764 -2.361809
H 3.407470 -1.798773 1.758153
H 2.697799 -0.190932 2.151267
H 0.220671 -0.763653 -0.424922
H -0.430231 1.107449 -1.621108
H 0.445083 -3.280994 0.408955
H -2.763194 0.020784 1.854548
H -3.308845 -1.281741 -0.410584
H -1.749518 3.188341 -1.845365
H -0.654018 -5.464271 0.038348
H -4.067214 2.106162 1.620008
H -4.385403 -3.473454 -0.774678
H -3.570755 3.697993 -0.226862
H -3.071265 -5.575832 -0.548800


%chk=000233761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233761

0 1
S -0.142670 -1.071035 2.038351
O 4.793662 3.541563 -1.081817
O 1.542861 -1.711799 1.273969
O 0.162962 0.487873 2.427019
N 3.690637 0.988703 -0.251537
C 2.935942 2.253817 -0.054332
C 4.576571 1.091381 -1.437745
C 2.828938 -0.210089 -0.231233
C 3.912117 3.430461 0.094386
C 5.535034 2.282262 -1.263366
C 2.537005 -0.637326 1.225159
C -1.142489 -1.027139 0.172365
C -1.946671 0.229592 0.146760
C -1.777800 -2.388219 0.048904
C -1.524231 1.303859 -0.680982
C -0.936295 -3.537806 0.111346
C -3.083804 0.423293 0.981144
C -3.169947 -2.576020 -0.163175
C -2.236165 2.522397 -0.708124
C -1.477926 -4.833416 -0.012581
C -3.790009 1.642809 0.962428
C -3.707255 -3.875838 -0.297012
C -3.374476 2.694796 0.111591
C -2.867519 -5.009365 -0.214808
H 2.306824 2.178880 0.850945
H 2.256149 2.450176 -0.923324
H 3.991771 1.231208 -2.381796
H 5.163360 0.158166 -1.532831
H 3.347800 -1.033584 -0.755403
H 1.858574 -0.044115 -0.764866
H 3.373621 4.390747 0.150678
H 4.525764 3.290651 1.010137
H 6.188405 2.102269 -0.382375
H 6.154577 2.431427 -2.163230
H 3.449384 -1.013180 1.723372
H 2.166719 0.239108 1.806325
H -0.236292 -0.955700 -0.451734
H -0.636521 1.176883 -1.313044
H 0.143544 -3.405985 0.254566
H -3.399781 -0.373207 1.664982
H -3.829062 -1.708050 -0.258038
H -1.899671 3.336385 -1.359474
H -0.816915 -5.705500 0.042786
H -4.658027 1.779085 1.616817
H -4.781787 -4.001712 -0.471251
H -3.924985 3.641915 0.098044
H -3.287822 -6.016123 -0.315598


