%chk=000207323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207323

0 1
S 3.294764 2.755086 -0.015822
O 3.782412 -2.152609 -0.345632
O 5.779322 -1.109833 -0.531871
N -0.393075 0.924991 0.102196
N 5.786474 1.690054 -0.382675
C 0.112906 -0.341956 0.728652
C -1.750064 1.286410 0.633016
C 0.561776 2.076628 0.300647
C 1.416086 -0.787125 0.039314
C 2.389273 0.339928 -0.017229
C -2.805034 0.387399 -0.035556
C 1.962151 1.628726 0.104107
C -4.221862 0.784873 0.394402
C -5.276635 -0.112043 -0.267978
C 3.819363 0.203943 -0.209816
C -6.697041 0.282822 0.158238
C 4.464820 1.444531 -0.233497
C -7.750638 -0.614647 -0.504425
C -9.172489 -0.221059 -0.079728
C 4.567626 -1.021483 -0.372052
C -10.225129 -1.111442 -0.736475
C 4.459269 -3.443779 -0.476509
C 5.063453 -3.841405 0.854493
H 0.283982 -0.242277 1.822176
H -0.663669 -1.125613 0.587757
H -1.962826 2.347217 0.374970
H -1.820058 1.209353 1.738789
H 0.284555 2.838739 -0.467906
H 0.456774 2.557266 1.301569
H 1.850907 -1.668022 0.559096
H 1.206152 -1.128226 -0.999780
H -2.613165 -0.675007 0.210014
H -2.699326 0.457574 -1.137473
H -4.413485 1.843533 0.132300
H -4.315582 0.723920 1.495736
H -5.183402 -0.050646 -1.369755
H -5.086742 -1.171543 -0.009206
H -6.887387 1.341749 -0.102726
H -6.790302 0.222297 1.259625
H -7.561879 -1.674071 -0.245158
H -7.658718 -0.555059 -1.605997
H -9.266573 -0.282006 1.022143
H -9.363551 0.838128 -0.341284
H 6.163086 2.620479 -0.415294
H 6.429807 0.902411 -0.516449
H -10.087617 -2.164846 -0.467340
H -10.184381 -1.045302 -1.829677
H -11.236131 -0.823185 -0.427900
H 3.616046 -4.087517 -0.784789
H 5.214195 -3.368803 -1.279839
H 5.903487 -3.180048 1.117065
H 4.330684 -3.769806 1.667866
H 5.445294 -4.868096 0.832464


%chk=000207323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207323

0 1
S 3.315538 2.814160 -0.006760
O 3.950246 -2.194368 -0.372593
O 5.926790 -0.975657 -0.624347
N -0.382613 0.896148 0.213767
N 5.813846 1.697103 -0.484807
C 0.118696 -0.338604 0.871434
C -1.767739 1.263126 0.601335
C 0.549043 2.034710 0.432515
C 1.420117 -0.837253 0.208165
C 2.414088 0.298442 0.060106
C -2.842334 0.332066 0.003730
C 1.965276 1.591316 0.183120
C -4.276827 0.803478 0.334238
C -5.366850 -0.129878 -0.238837
C 3.850975 0.196961 -0.204240
C -6.804489 0.342188 0.074846
C 4.485260 1.463732 -0.263553
C -7.894040 -0.596015 -0.491498
C -9.332453 -0.121259 -0.183161
C 4.664833 -0.990030 -0.410617
C -10.414488 -1.065870 -0.749809
C 4.749461 -3.441090 -0.564546
C 5.332166 -3.928069 0.765801
H 0.301183 -0.165829 1.964951
H -0.654063 -1.121434 0.786522
H -1.952751 2.290533 0.228608
H -1.886581 1.302773 1.717117
H 0.264515 2.851453 -0.260571
H 0.457031 2.448676 1.474226
H 1.860156 -1.654540 0.806025
H 1.194457 -1.263127 -0.787693
H -2.710632 -0.702085 0.379906
H -2.697578 0.292052 -1.093269
H -4.428793 1.828932 -0.063577
H -4.400159 0.875555 1.435564
H -5.238636 -0.209917 -1.338501
H -5.221280 -1.153634 0.165542
H -6.952500 1.363682 -0.334492
H -6.930713 0.427656 1.174740
H -7.750131 -1.616982 -0.079348
H -7.766860 -0.685089 -1.590910
H -9.458148 -0.030041 0.915269
H -9.475794 0.897889 -0.597243
H 6.204621 2.634185 -0.526961
H 6.385653 0.847229 -0.620829
H -10.313534 -2.083033 -0.326032
H -10.328715 -1.151986 -1.849660
H -11.432763 -0.702730 -0.517837
H 4.018867 -4.153910 -0.980725
H 5.548130 -3.239261 -1.299249
H 6.065053 -3.203113 1.157483
H 4.535600 -4.073207 1.516289
H 5.847768 -4.895427 0.617164


