%chk=000198574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198574

0 1
S -3.882725 -1.237247 0.457421
S -6.445389 -2.831695 0.839999
O -2.862491 2.448139 -0.433419
N 0.988128 0.843319 0.118011
N 3.790915 0.178496 -0.076946
N 5.420628 -1.484978 -0.569260
N -6.239611 -0.201835 0.185308
C 1.494475 -0.041990 -0.981637
C 2.044543 1.844403 0.479620
C 2.745948 -0.803010 -0.503052
C 3.293598 1.098104 0.990646
C -0.285857 1.527199 -0.274520
C -1.456264 0.563303 -0.013014
C 5.127966 -0.260117 -0.001668
C -2.787449 1.263532 -0.162590
C 6.151962 0.571738 0.531715
C -3.981500 0.441808 0.035858
C 7.471741 0.143927 0.448839
C 6.719561 -1.864165 -0.637692
C -5.305883 0.832230 -0.067070
C 7.776920 -1.088474 -0.142025
C -5.821279 2.173147 -0.403562
C -5.646460 -1.344904 0.473551
C -8.193869 -2.424517 0.732918
H 1.729350 0.518610 -1.913411
H 0.700706 -0.777991 -1.232884
H 1.652271 2.491193 1.294454
H 2.322346 2.508388 -0.368253
H 2.486403 -1.496099 0.327432
H 3.143949 -1.426611 -1.338029
H 4.083425 1.837181 1.251551
H 3.042576 0.532229 1.917127
H -0.303175 1.869724 -1.331590
H -0.428992 2.442794 0.344397
H -1.394044 -0.308764 -0.695545
H -1.352685 0.139645 1.012324
H 5.906112 1.531190 0.976403
H 8.271894 0.769922 0.845366
H 6.899701 -2.840005 -1.105572
H 8.801004 -1.435470 -0.213662
H -6.466665 2.571433 0.396320
H -4.998279 2.899217 -0.564620
H -6.434029 2.153232 -1.319510
H -8.478141 -1.640783 1.450044
H -8.770642 -3.332278 0.953683
H -8.471394 -2.062871 -0.267853


%chk=000198574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198574

0 1
S -3.918556 -1.413614 0.283325
S -6.640106 -2.941276 0.413633
O -2.813451 2.468475 -0.231979
N 1.046315 0.843263 0.355477
N 3.829932 0.072536 0.405425
N 5.368385 -1.449374 -0.520106
N -6.291375 -0.209636 0.043086
C 1.511480 -0.377288 -0.356771
C 2.122565 1.864322 0.363783
C 2.769181 -0.951208 0.317210
C 3.392507 1.320129 1.050797
C -0.221392 1.394779 -0.181800
C -1.424910 0.486772 0.125991
C 5.150972 -0.223257 0.070432
C -2.766450 1.209606 -0.048332
C 6.240340 0.680727 0.308913
C -3.999427 0.402665 0.027069
C 7.534233 0.307441 -0.093098
C 6.632056 -1.782830 -0.894016
C -5.340573 0.813975 -0.069773
C 7.754941 -0.947471 -0.714896
C -5.842619 2.215654 -0.277786
C -5.741854 -1.401766 0.225676
C -8.401126 -2.283905 0.259481
H 1.735706 -0.157013 -1.431877
H 0.715252 -1.142453 -0.324009
H 1.764587 2.750233 0.920567
H 2.389135 2.192007 -0.673897
H 2.501350 -1.293281 1.339784
H 3.173536 -1.802810 -0.250390
H 4.180349 2.086534 0.990509
H 3.167942 1.135031 2.123259
H -0.166435 1.583685 -1.283328
H -0.402643 2.375008 0.293615
H -1.422837 -0.426539 -0.500965
H -1.344367 0.141166 1.177982
H 6.089598 1.642491 0.805135
H 8.371320 0.991854 0.085601
H 6.737208 -2.771424 -1.358052
H 8.750018 -1.266195 -1.036792
H -6.520954 2.493636 0.549684
H -5.008766 2.927612 -0.332363
H -6.435461 2.264529 -1.209840
H -8.590819 -1.558211 1.061742
H -9.048900 -3.168110 0.359025
H -8.526591 -1.806168 -0.721528


