%chk=000206586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206586

0 1
S 1.605823 2.628919 -0.162229
O -0.743499 1.094593 0.215296
O -5.463767 -1.299001 -1.333197
O -0.586802 -2.790622 -0.621932
N 0.574073 -0.883785 -1.002413
C 0.729807 2.415874 1.418252
C -0.736396 2.292460 1.049505
C 3.333727 2.252038 0.267503
C -1.956537 0.538153 -0.133364
C 3.539843 0.779371 0.145097
C -1.869019 -0.777609 -0.632922
C -3.186657 1.212653 -0.039386
C -3.044099 -1.419488 -1.042957
C 3.860101 0.214718 -1.100971
C 3.410761 -0.052617 1.268749
C -4.263714 -0.739937 -0.949701
C -4.350921 0.572563 -0.451863
C 4.045280 -1.164797 -1.218805
C 3.589469 -1.433034 1.142357
C -0.597802 -1.569365 -0.721500
C 3.906644 -1.992194 -0.099335
H 1.084474 1.502510 1.938040
H 0.908481 3.276906 2.087190
H -1.118241 3.139088 0.449589
H -1.379226 2.125399 1.933073
H 3.592495 2.638438 1.270616
H 3.965501 2.823496 -0.446427
H -3.240100 2.229780 0.338928
H -2.987567 -2.446756 -1.412350
H 3.961961 0.850313 -1.979289
H 3.175401 0.371206 2.242278
H -5.322519 1.063103 -0.398294
H 4.297544 -1.597418 -2.186719
H 3.480370 -2.076223 2.015328
H 4.044987 -3.068247 -0.194367
H 0.644683 0.128334 -0.945059
H 1.453863 -1.383526 -0.967790
H -5.348124 -2.227594 -1.653333


%chk=000206586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206586

0 1
S 1.593540 2.106110 -0.660859
O -0.959622 0.517029 -0.021636
O -6.384087 -0.769961 -0.899375
O -2.068026 -2.149281 -3.141313
N -0.340183 -0.928622 -2.194598
C 0.925437 1.585199 1.033436
C -0.597372 1.510208 0.999061
C 3.446825 2.260545 -0.207035
C -2.324950 0.225394 -0.241456
C 4.064585 0.972807 0.287403
C -2.641250 -0.667158 -1.308256
C -3.356048 0.770931 0.562597
C -4.000304 -1.000761 -1.522046
C 4.305274 -0.108619 -0.601199
C 4.412161 0.821548 1.654456
C -5.023071 -0.463130 -0.716596
C -4.702033 0.431297 0.327752
C 4.881310 -1.309041 -0.134489
C 4.988511 -0.381276 2.125579
C -1.661181 -1.306804 -2.274544
C 5.224132 -1.450314 1.232187
H 1.362329 0.608815 1.299296
H 1.233901 2.341443 1.777509
H -1.048324 2.490233 0.743282
H -0.972918 1.183898 1.990843
H 3.538211 3.070422 0.536187
H 3.896439 2.600828 -1.155439
H -3.124783 1.462593 1.377185
H -4.202122 -1.696249 -2.347512
H 4.031412 -0.006149 -1.658106
H 4.241415 1.652576 2.350630
H -5.505402 0.847632 0.942198
H 5.064116 -2.134224 -0.831899
H 5.254129 -0.481360 3.183961
H 5.670815 -2.382955 1.594040
H -0.018069 -0.251391 -1.496601
H 0.305858 -1.344743 -2.863819
H -6.500355 -1.399767 -1.653226


