%chk=000272207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272207

0 1
S 1.808906 2.779904 -1.402046
O -2.894742 1.539096 -0.575064
N -2.313157 -1.493080 -0.596013
N -0.625634 1.425962 -0.311554
C -3.804376 -1.463090 -0.419005
C -1.849137 -2.835274 -1.085138
C -4.217196 -2.520022 0.616497
C -2.239538 -3.914189 -0.060783
C -3.752260 -3.918713 0.192516
C -1.868727 -0.414229 -1.532006
C -1.876112 0.901553 -0.754565
C 0.572221 0.624994 -0.223754
C -0.512697 2.821147 0.055008
C 1.801084 1.156955 -0.735096
C 0.602224 3.553806 -0.390642
C 0.555880 -0.624098 0.358098
C 1.742966 -1.419600 0.377856
C 2.947228 -0.901981 -0.168858
C 2.956038 0.423740 -0.710914
C -1.495090 3.456963 0.831489
C 0.750705 4.900735 -0.066397
C 1.742346 -2.736047 0.939695
C 4.127431 -1.709792 -0.150357
C -1.350340 4.811657 1.140846
C -0.235974 5.532760 0.697891
C 2.890131 -3.488739 0.945675
C 4.097510 -2.970276 0.392649
H -4.352516 -1.626231 -1.371131
H -4.084264 -0.445577 -0.056486
H -0.741363 -2.801215 -1.184093
H -2.261443 -3.094225 -2.083587
H -5.314330 -2.498566 0.749298
H -3.778961 -2.262052 1.601608
H -1.705132 -3.728120 0.892208
H -1.903844 -4.903751 -0.420844
H -4.005294 -4.658033 0.974744
H -4.291074 -4.239486 -0.719018
H -0.860205 -0.646238 -1.940747
H -2.533747 -0.276066 -2.417126
H -0.362066 -1.029382 0.800637
H 3.895209 0.829117 -1.092117
H -2.375428 2.900956 1.165339
H 1.623814 5.460205 -0.404664
H 0.814541 -3.121490 1.361581
H 5.045838 -1.304008 -0.572939
H -2.117073 5.308894 1.735518
H -0.134170 6.586851 0.949233
H 2.898893 -4.490746 1.372759
H 4.991421 -3.591877 0.411998


%chk=000272207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272207

0 1
S 1.818619 2.838447 -1.564665
O -2.893377 1.626621 -0.924513
N -2.319232 -1.517710 -0.659824
N -0.613689 1.415371 -0.436831
C -3.776348 -1.413699 -0.362450
C -1.959474 -2.879010 -1.146214
C -4.187954 -2.436654 0.714116
C -2.325089 -3.948909 -0.097185
C -3.823574 -3.872741 0.274415
C -1.853876 -0.464786 -1.606948
C -1.839780 0.925739 -0.956168
C 0.590160 0.619933 -0.327081
C -0.521631 2.795531 0.003323
C 1.830581 1.170605 -0.801355
C 0.571827 3.581901 -0.436214
C 0.579126 -0.642943 0.271067
C 1.773960 -1.427296 0.348984
C 3.017476 -0.879163 -0.154016
C 3.014234 0.439747 -0.713736
C -1.483567 3.367273 0.868675
C 0.700884 4.928315 -0.035132
C 1.776270 -2.740349 0.926574
C 4.214339 -1.663371 -0.060577
C -1.366582 4.719100 1.255751
C -0.280352 5.502952 0.802601
C 2.957372 -3.481926 1.005669
C 4.185744 -2.939194 0.507713
H -4.376390 -1.592071 -1.293186
H -3.996635 -0.385213 -0.031845
H -0.871498 -2.901430 -1.347530
H -2.483447 -3.113612 -2.109584
H -5.275140 -2.348703 0.901848
H -3.665324 -2.192765 1.659703
H -1.712804 -3.781466 0.811513
H -2.068381 -4.950501 -0.492558
H -4.061281 -4.599535 1.074008
H -4.434722 -4.151708 -0.608967
H -0.850478 -0.742512 -1.969864
H -2.531198 -0.373499 -2.488501
H -0.373679 -1.049918 0.632679
H 3.954830 0.876361 -1.067363
H -2.325118 2.761642 1.209089
H 1.561434 5.515487 -0.371765
H 0.834406 -3.152128 1.308792
H 5.154682 -1.247038 -0.440713
H -2.123791 5.158050 1.913755
H -0.188552 6.550696 1.107584
H 2.950742 -4.483372 1.449449
H 5.104775 -3.531450 0.575677


