%chk=000185269.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185269

0 1
S -3.009319 0.490842 1.025616
O -1.981147 0.255247 -1.403243
N -0.660645 -0.564350 0.292488
C 0.426104 -1.010299 -0.640569
C 1.706285 -0.260227 -0.309846
C 0.558280 -2.534049 -0.611339
C -0.483648 -0.758205 1.747863
C 1.815051 1.075963 -0.731418
C 2.765155 -0.847553 0.393289
C -1.785980 0.035201 -0.225202
C 2.970747 1.809117 -0.456414
C 3.923248 -0.110785 0.665177
C 4.028856 1.216463 0.241966
C -4.330330 1.215027 -0.012953
C -5.613804 0.464978 0.254659
H 0.102523 -0.713467 -1.686153
H 1.350236 -2.868470 -1.293083
H -0.376635 -3.012012 -0.934459
H 0.787821 -2.924896 0.385704
H 0.510168 -1.184680 1.965309
H -1.245902 -1.447947 2.152743
H -0.547105 0.204550 2.289220
H 0.991052 1.544077 -1.272245
H 2.700550 -1.880739 0.729385
H 3.048138 2.844051 -0.786393
H 4.744154 -0.575467 1.208629
H 4.930182 1.788151 0.454052
H -4.410596 2.287717 0.244716
H -4.032598 1.156790 -1.085202
H -5.535060 -0.597879 -0.016076
H -5.915411 0.508475 1.309671
H -6.442069 0.883776 -0.334790


%chk=000185269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185269

0 1
S -3.069982 0.754685 1.299564
O -2.112859 0.265989 -1.247162
N -0.691614 -0.376279 0.501599
C 0.306634 -0.962986 -0.455384
C 1.672421 -0.284055 -0.274788
C 0.314038 -2.501788 -0.348883
C -0.437123 -0.494558 1.948516
C 1.758853 1.121227 -0.464642
C 2.850151 -0.996471 0.057941
C -1.852165 0.160789 -0.014980
C 2.988915 1.796167 -0.324463
C 4.086625 -0.322301 0.199765
C 4.160791 1.074861 0.010189
C -4.442339 1.316308 0.116734
C -5.380299 0.169080 -0.279013
H -0.083341 -0.689419 -1.453405
H 0.992672 -2.939449 -1.102600
H -0.701543 -2.889117 -0.538429
H 0.635866 -2.851972 0.648795
H 0.642918 -0.648946 2.104533
H -0.993919 -1.336916 2.400496
H -0.722638 0.434981 2.470616
H 0.852156 1.681413 -0.723796
H 2.815240 -2.081627 0.201497
H 3.037550 2.880004 -0.478515
H 4.988982 -0.889031 0.456220
H 5.118060 1.596985 0.118330
H -4.961207 2.122535 0.662005
H -3.926363 1.731859 -0.764085
H -4.822270 -0.608685 -0.827064
H -5.854852 -0.291884 0.604935
H -6.181058 0.548000 -0.943423


