%chk=000253871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253871

0 1
S -1.702269 2.044169 -0.018261
O -7.520546 1.938150 -0.012581
O -7.435501 -2.682984 0.040885
N -4.427721 1.825115 -0.013689
N -5.391158 -1.627668 0.026982
N -7.483248 -0.367188 0.013981
N -3.328678 -0.193429 0.008796
C 5.909842 0.655340 -0.007815
C 4.530328 -0.017040 0.000765
C 7.039398 -0.383536 0.003416
C 3.401162 1.022279 -0.010304
C 8.419088 0.288515 -0.005488
C 2.022777 0.348318 -0.001849
C 9.548897 -0.750115 0.006193
C 10.928382 -0.078097 -0.003553
C 0.893384 1.391683 -0.012610
C 12.059655 -1.115953 0.008289
C -0.463947 0.703939 -0.003779
C 13.435125 -0.452535 -0.001578
C -5.410385 0.816069 -0.001330
C -4.703977 -0.419205 0.012452
C -3.206071 1.174880 -0.007086
C -6.849331 0.926942 -0.001595
C -6.824363 -1.631801 0.028171
C -4.650723 -2.912247 0.041264
C -8.971878 -0.422835 0.015695
H 6.007805 1.326265 0.867446
H 6.006710 1.305992 -0.898377
H 4.434231 -0.688209 -0.874631
H 4.435416 -0.668113 0.891342
H 6.944078 -1.034248 0.894047
H 6.942706 -1.054824 -0.871660
H 3.498836 1.673015 -0.901014
H 3.499930 1.692989 0.865326
H 8.516817 0.959884 0.869382
H 8.515672 0.938813 -0.896245
H 1.926430 -0.322281 -0.878158
H 1.927678 -0.302697 0.889222
H 9.451637 -1.421878 -0.868372
H 9.453455 -1.400005 0.897337
H 11.027651 0.593959 0.870364
H 11.025905 0.571937 -0.894152
H 1.001268 2.041294 -0.906515
H 1.002701 2.061158 0.866338
H 11.964867 -1.765675 0.900271
H 11.962939 -1.787967 -0.866802
H -0.607939 0.065355 0.890736
H -0.609197 0.045026 -0.883217
H 13.576794 0.169833 -0.892417
H 13.579120 0.191242 0.873533
H 14.235638 -1.200657 0.006425
H -4.627256 2.811973 -0.024949
H -4.010055 -2.993919 -0.854728
H -5.362018 -3.760986 0.051962
H -4.008176 -2.972896 0.937582
H -9.387089 0.602958 0.006416
H -9.337558 -0.964648 -0.873682
H -9.336136 -0.947955 0.915619


%chk=000253871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253871

0 1
S -1.884408 2.368549 0.154203
O -7.740116 1.785233 0.005102
O -7.224766 -2.908366 -0.181311
N -4.633219 1.878462 0.084796
N -5.269662 -1.613383 -0.076258
N -7.456786 -0.576934 -0.087797
N -3.370812 -0.020601 0.035768
C 5.900020 0.704069 -0.014282
C 4.482824 0.111896 0.156473
C 7.021905 -0.351204 0.110319
C 3.360929 1.168313 0.042919
C 8.439663 0.236018 -0.072362
C 1.944815 0.566041 0.189158
C 9.560991 -0.819430 0.057503
C 10.979305 -0.234506 -0.128548
C 0.828256 1.635442 0.099799
C 12.100174 -1.290990 0.002097
C -0.562416 0.993409 0.199309
C 13.513582 -0.697600 -0.183753
C -5.531487 0.802057 0.018502
C -4.723367 -0.341969 -0.009620
C -3.354759 1.340605 0.091062
C -6.966009 0.778647 -0.018035
C -6.679569 -1.769406 -0.119132
C -4.402146 -2.805942 -0.106839
C -8.923640 -0.775116 -0.133437
H 6.059308 1.499242 0.743943
H 5.972861 1.200475 -1.004648
H 4.322600 -0.677308 -0.607743
H 4.413107 -0.392317 1.143068
H 6.954221 -0.842006 1.103920
H 6.857928 -1.150881 -0.642268
H 3.440681 1.683916 -0.936649
H 3.511113 1.947550 0.818938
H 8.603422 1.038341 0.677424
H 8.509077 0.723088 -1.067680
H 1.789794 -0.198492 -0.599901
H 1.870161 0.034975 1.160468
H 9.395953 -1.623093 -0.690687
H 9.493143 -1.304895 1.053787
H 11.146364 0.569223 0.619097
H 11.049351 0.250068 -1.125125
H 0.920177 2.185476 -0.857301
H 0.966830 2.375584 0.912945
H 12.029082 -1.775868 0.997271
H 11.933390 -2.092831 -0.746166
H -0.708538 0.443224 1.142475
H -0.780908 0.319845 -0.643831
H 13.618557 -0.229940 -1.181124
H 13.718870 0.081990 0.574167
H 14.295635 -1.473609 -0.090563
H -4.900921 2.861760 0.121939
H -3.737333 -2.768651 -0.986238
H -5.055040 -3.689024 -0.161944
H -3.782001 -2.847288 0.804387
H -9.388727 0.221089 -0.099776
H -9.205987 -1.302976 -1.058985
H -9.250369 -1.384461 0.724962


