%chk=000282547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282547

0 1
S 7.094065 0.851875 0.328309
O 7.751308 0.830434 -0.964899
O 7.303162 1.951752 1.250984
N -2.934170 -0.431833 -1.054478
N 1.282289 -0.025091 -0.402954
N 7.673153 -0.547466 1.153469
C -3.080083 -1.709141 -0.462265
C -1.781322 -2.119797 -0.007214
C -4.026705 0.404663 -1.583446
C -0.864682 -1.046753 -0.322187
C -1.600305 -0.032611 -0.941511
C -4.214711 -2.527332 -0.309324
C -4.491495 1.432513 -0.576132
C -1.637723 -3.377032 0.606764
C 0.557686 -1.039501 -0.041868
C -4.034017 -3.756927 0.302120
C -2.758337 -4.178055 0.755641
C -4.457923 2.794350 -0.905329
C -4.972089 1.026681 0.677115
C 2.676695 0.089962 -0.179689
C -4.910236 3.744758 0.015085
C -5.419211 1.981237 1.594086
C -5.391160 3.340486 1.264173
C 5.414406 0.564921 0.133752
C 3.582636 -0.334851 -1.175780
C 3.147604 0.754267 0.973738
C 4.942437 -0.087919 -1.012875
C 4.511338 0.991167 1.116954
H -4.883658 -0.250376 -1.876383
H -3.679946 0.893188 -2.526189
H -1.241183 0.921686 -1.301677
H -5.190268 -2.204929 -0.658914
H -0.661558 -3.705607 0.954823
H 0.935087 -1.936901 0.481114
H -4.884540 -4.423149 0.442556
H -2.670102 -5.154687 1.229243
H -4.080198 3.119723 -1.872971
H -4.986274 -0.030997 0.941638
H -4.884020 4.802995 -0.242030
H -5.788547 1.665039 2.568989
H -5.740662 4.082538 1.980320
H 3.212818 -0.832016 -2.070452
H 2.443203 1.094132 1.730666
H 5.647175 -0.401727 -1.792282
H 4.878879 1.521559 2.003645
H 8.305542 -1.166985 0.652465
H 8.010845 -0.431845 2.106002


%chk=000282547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282547

0 1
S 7.296639 0.467228 0.246208
O 7.950019 -0.617271 -0.782024
O 7.717407 2.041428 0.272388
N -2.994610 -0.345040 -0.996935
N 1.252688 0.186668 -0.315158
N 7.629487 -0.140193 1.960668
C -3.073398 -1.708068 -0.629367
C -1.750560 -2.132564 -0.258897
C -4.121986 0.502927 -1.428497
C -0.873792 -0.975992 -0.411499
C -1.683010 0.084549 -0.858612
C -4.184233 -2.578470 -0.597942
C -4.583233 1.508926 -0.373798
C -1.548378 -3.474946 0.151034
C 0.550673 -0.919097 -0.164800
C -3.954857 -3.907916 -0.187686
C -2.651689 -4.350571 0.182572
C -4.881442 2.839878 -0.752896
C -4.748535 1.121820 0.980029
C 2.656482 0.190371 -0.176634
C -5.347092 3.771833 0.203023
C -5.209391 2.052676 1.936124
C -5.512889 3.379992 1.550443
C 5.435248 0.352313 0.087990
C 3.491657 -0.866499 -0.655070
C 3.262163 1.347166 0.397777
C 4.891830 -0.789366 -0.523285
C 4.657764 1.431738 0.546072
H -4.952156 -0.173457 -1.701461
H -3.831265 1.036871 -2.351711
H -1.387073 1.109147 -1.073997
H -5.191279 -2.249010 -0.874966
H -0.554067 -3.831647 0.441207
H 1.023631 -1.860680 0.186650
H -4.793116 -4.611962 -0.150967
H -2.510700 -5.390064 0.497810
H -4.747411 3.152302 -1.796376
H -4.506415 0.097696 1.287741
H -5.572075 4.799847 -0.101710
H -5.330244 1.745130 2.980730
H -5.869201 4.101490 2.293841
H 3.042010 -1.726511 -1.163130
H 2.612035 2.164413 0.723257
H 5.550572 -1.573975 -0.909519
H 5.135284 2.317303 0.976652
H 8.108441 -1.053792 1.887701
H 8.205271 0.579779 2.429822


