%chk=000274240.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274240

0 1
S -2.780321 1.014546 -1.879822
O -2.017173 1.824706 -2.806173
O -3.980357 0.331110 -2.307791
N -1.627375 -0.150021 -1.342835
N 6.674997 0.481600 -0.292229
N 0.500064 -1.497999 -0.177280
C -3.124379 1.923119 -0.459784
C -1.891358 -1.323800 -0.606944
C -0.813292 -2.005619 0.048554
C -2.350906 3.047783 -0.147315
C -4.179332 1.550663 0.381378
C -3.674506 3.412601 1.852862
C 5.412280 -0.140219 -0.097882
C -2.620822 3.790203 1.001457
C -4.455275 2.287818 1.532377
C -3.197626 -1.834630 -0.482014
C 2.807191 -1.137292 0.391978
C -1.086533 -3.160538 0.798615
C 5.079723 -0.714872 1.154788
C 4.415044 -0.084298 -1.101462
C 3.798317 -1.198352 1.388830
C 3.136889 -0.571485 -0.853050
C -3.438239 -2.977105 0.279524
C 1.463127 -1.665984 0.679127
C -3.974195 4.210874 3.076621
C -2.390432 -3.641589 0.923168
C 7.797938 0.010419 0.563686
C 7.108845 0.705513 -1.698228
H -0.628404 -0.013284 -1.591322
H -1.533823 3.353162 -0.811878
H -4.798130 0.680391 0.134145
H -2.015407 4.663519 1.237062
H -5.277311 1.991799 2.181360
H -4.030207 -1.373302 -1.024630
H -0.269186 -3.696864 1.279886
H 5.821037 -0.768576 1.948427
H 4.633530 0.351637 -2.073682
H 3.563387 -1.631007 2.362050
H 2.374859 -0.520068 -1.636271
H -4.455541 -3.360280 0.361039
H 1.370180 -2.184625 1.648741
H -4.409498 3.601847 3.881361
H -3.080629 4.697663 3.492138
H -4.698840 5.009667 2.851046
H -2.586827 -4.535795 1.508658
H 7.517418 0.102066 1.628189
H 8.675809 0.659048 0.408276
H 8.094179 -1.032213 0.368269
H 8.034999 1.303338 -1.707198
H 6.342794 1.296118 -2.232445
H 7.287122 -0.225192 -2.259575


%chk=000274240-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274240

0 1
S -1.667089 1.436677 -0.601919
O -0.428077 2.475636 -0.846469
O -2.289998 0.528653 -1.810079
N -1.069475 0.331050 0.983707
N 7.116092 -0.173643 -0.935714
N 0.866213 -1.510225 0.445363
C -3.104485 2.406496 0.129615
C -1.439269 -1.031022 0.928694
C -0.416733 -2.026326 0.705303
C -2.821303 3.512887 0.946750
C -4.408259 1.999283 -0.191068
C -5.252470 3.867679 1.181833
C 5.866390 -0.665090 -0.565737
C -3.911274 4.239602 1.471178
C -5.482727 2.744056 0.346364
C -2.783975 -1.431325 1.147760
C 3.279130 -1.671072 0.198405
C -0.785774 -3.400782 0.709759
C 5.727553 -1.947502 0.063397
C 4.669753 0.096836 -0.803885
C 4.463375 -2.428208 0.430682
C 3.416730 -0.396249 -0.430718
C -3.127142 -2.795283 1.141352
C 1.980130 -2.200291 0.588380
C -6.411174 4.677256 1.735545
C -2.126229 -3.778975 0.920635
C 8.326917 -0.968361 -0.684519
C 7.231636 1.138304 -1.591425
H -0.033148 0.387393 0.822649
H -1.785545 3.801039 1.151252
H -4.568764 1.144010 -0.856013
H -3.718674 5.107240 2.113209
H -6.511272 2.448988 0.108771
H -3.540081 -0.661132 1.333868
H -0.030986 -4.168944 0.506567
H 6.608195 -2.564132 0.261455
H 4.728010 1.076518 -1.285589
H 4.384582 -3.412882 0.910066
H 2.512110 0.189945 -0.623821
H -4.166289 -3.099292 1.305933
H 1.986232 -3.217798 1.034216
H -7.363988 4.125800 1.663120
H -6.248568 4.942631 2.795559
H -6.532154 5.625392 1.177104
H -2.400034 -4.839921 0.905083
H 8.459459 -1.180689 0.395236
H 9.210038 -0.409515 -1.030662
H 8.302394 -1.936613 -1.224143
H 8.290800 1.347106 -1.807541
H 6.847758 1.953447 -0.946475
H 6.675264 1.167547 -2.549233


