%chk=000210492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210492

0 1
S 8.101698 0.204406 -0.303682
O -3.096738 0.958135 1.006683
O 5.676499 1.251588 -1.564859
N -1.268024 0.632677 -0.449280
N 1.591686 0.396996 -0.813030
C -0.703624 -0.055681 -1.652455
C -0.355316 0.465950 0.723884
C -2.679593 0.241314 -0.164850
C 0.670161 0.563135 -1.985940
C 1.013701 1.087793 0.387902
C -2.895980 -1.238047 0.241133
C 2.959625 0.918829 -1.132017
C -3.634486 2.313509 0.879605
C 3.979423 0.157488 -0.268497
C -4.280680 -1.701175 -0.104107
C -4.823163 2.320438 -0.085157
C -4.076384 2.567893 2.326446
C -2.539348 3.280480 0.438837
C 5.398275 0.484212 -0.665270
C -5.377835 -1.215068 0.626725
C -4.492567 -2.613901 -1.147437
C -6.669978 -1.641482 0.317802
C -5.789931 -3.038074 -1.452033
C 6.463103 -0.179453 0.100125
C -6.879430 -2.554831 -0.722138
C 6.421986 -1.092827 1.121352
C 7.728973 -1.478955 1.576930
C 8.741118 -0.856519 0.898099
H -1.393768 0.097545 -2.508731
H -0.590912 -1.153222 -1.505873
H -0.223332 -0.598192 1.015765
H -0.816636 0.993569 1.589665
H -3.297389 0.525680 -1.048226
H 0.537522 1.626745 -2.281898
H 1.110219 0.026304 -2.853506
H 1.705075 0.938984 1.243369
H 0.900216 2.184184 0.239843
H -2.731924 -1.329005 1.338966
H -2.126478 -1.882769 -0.224507
H 3.069643 2.013555 -0.975366
H 3.194166 0.741352 -2.206353
H 3.796697 -0.936430 -0.364476
H 3.821507 0.379056 0.806318
H -4.505705 2.245573 -1.130695
H -5.497698 1.477749 0.112794
H -5.406421 3.241579 0.010655
H -3.244408 2.395866 3.020566
H -4.879930 1.884167 2.621800
H -4.428608 3.593621 2.462343
H -1.684733 3.246979 1.124383
H -2.138326 3.010331 -0.548425
H -2.900879 4.310189 0.389653
H -5.203899 -0.498041 1.431412
H -3.651358 -2.996474 -1.720282
H -7.517239 -1.264690 0.887921
H -5.950024 -3.748479 -2.261192
H -7.886851 -2.887659 -0.960224
H 5.518357 -1.498830 1.556975
H 7.869602 -2.192412 2.377581
H 9.802542 -0.971653 1.046371


%chk=000210492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210492

0 1
S 8.225259 0.337691 -0.520999
O -3.245219 0.867632 0.972949
O 5.624140 1.183615 -1.854156
N -1.283817 0.413363 -0.392668
N 1.555173 0.321246 -0.906977
C -0.774773 0.021867 -1.723149
C -0.335609 0.051061 0.683145
C -2.703853 0.093260 -0.140407
C 0.589250 0.689044 -1.974711
C 1.025330 0.718254 0.423636
C -2.983086 -1.394570 0.250507
C 2.909270 0.860183 -1.183840
C -3.515347 2.341996 0.802204
C 3.988930 0.164507 -0.334973
C -4.428291 -1.807891 0.033451
C -4.052462 2.668564 -0.607739
C -4.592853 2.609818 1.872424
C -2.227250 3.140575 1.106081
C 5.408845 0.498344 -0.806784
C -5.450398 -1.404675 0.933664
C -4.793697 -2.582718 -1.098537
C -6.796474 -1.768462 0.708026
C -6.140633 -2.945945 -1.329568
C 6.525690 -0.024012 -0.000286
C -7.148424 -2.540182 -0.425097
C 6.516400 -0.803480 1.160027
C 7.824990 -1.124961 1.653555
C 8.843767 -0.590680 0.871133
H -1.495180 0.350545 -2.496777
H -0.646630 -1.085242 -1.818840
H -0.177646 -1.052776 0.745118
H -0.753581 0.399272 1.643908
H -3.242903 0.316266 -1.084244
H 0.439452 1.797484 -2.029284
H 0.994138 0.348370 -2.945871
H 1.735930 0.399984 1.208044
H 0.907068 1.830013 0.496234
H -2.692116 -1.516297 1.310171
H -2.317274 -2.037431 -0.357855
H 2.964523 1.966204 -1.027905
H 3.140858 0.685231 -2.249342
H 3.835186 -0.931841 -0.398728
H 3.897979 0.430430 0.735814
H -3.270422 2.554370 -1.379245
H -4.911649 2.022848 -0.864678
H -4.395502 3.718880 -0.632177
H -4.234085 2.273486 2.861034
H -5.519824 2.059219 1.634078
H -4.823466 3.689191 1.931019
H -1.861330 2.899224 2.120351
H -1.442029 2.883306 0.376336
H -2.427913 4.227811 1.059120
H -5.176976 -0.794932 1.801287
H -4.015370 -2.909637 -1.800348
H -7.571799 -1.452706 1.415990
H -6.401593 -3.547632 -2.208025
H -8.192817 -2.823917 -0.598308
H 5.594235 -1.138309 1.641513
H 8.007988 -1.724668 2.548019
H 9.920089 -0.676188 1.014077


