%chk=000194814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194814

0 1
S 0.935808 0.135821 -0.504110
O -2.511382 0.096787 -2.044453
O 0.618049 0.444628 0.919607
O -6.089616 -1.385469 -0.476928
O -5.625873 0.752461 -0.008451
O 3.465250 -1.476004 -1.440867
O 5.083318 1.306156 1.865641
N -2.824056 0.078467 0.192887
N 4.531912 -0.306364 0.276487
C -3.838905 -0.996806 0.115239
C -3.782937 -1.704436 1.483908
C -2.466033 0.388466 1.608063
C -3.164720 -0.687993 2.461813
C -1.249161 1.760129 -0.809068
C -2.225984 0.584330 -0.958370
C 2.666015 0.734680 -0.759346
C 0.065891 1.398679 -1.497811
C 3.143088 1.625251 0.383950
C -5.222233 -0.377148 -0.109355
C 3.548033 -0.504924 -0.730882
C -1.909887 2.982653 -1.449260
C 4.356956 0.930476 0.983413
C 5.538867 -1.333323 0.655238
C 4.965541 -2.332529 1.653308
H -3.620336 -1.688236 -0.745675
H -4.779060 -2.046124 1.815559
H -3.154605 -2.612216 1.411316
H -2.818862 1.407284 1.871231
H -1.354405 0.355859 1.735221
H -2.448437 -1.178449 3.143939
H -3.944543 -0.233677 3.099241
H -1.043365 1.992416 0.270700
H 2.759495 1.232263 -1.747585
H 0.666092 2.308631 -1.663996
H -0.127503 0.967325 -2.504622
H 3.396580 2.651184 0.060520
H 2.364593 1.746590 1.183655
H -2.861877 3.224806 -0.955677
H -1.271137 3.869375 -1.384024
H -2.139379 2.808678 -2.510829
H 6.419561 -0.803802 1.089681
H 5.870535 -1.852313 -0.274076
H 4.629682 -1.841770 2.576270
H 4.105650 -2.875422 1.239129
H 5.718103 -3.078844 1.935643
H -7.008224 -1.056645 -0.661274


%chk=000194814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194814

0 1
S 0.897916 0.069495 -0.403976
O -2.523287 0.113616 -2.007537
O 0.724670 0.571136 1.190499
O -5.882051 -1.721155 -0.768501
O -5.639226 0.526263 -0.225474
O 3.643915 -1.513240 -1.625789
O 5.228888 1.239107 1.825747
N -2.853448 0.077322 0.286083
N 4.627104 -0.375608 0.207577
C -3.768929 -1.074064 0.179762
C -3.804580 -1.631854 1.631988
C -2.655109 0.526745 1.697969
C -3.637900 -0.360782 2.503676
C -1.332501 1.802806 -0.696589
C -2.282695 0.599712 -0.851602
C 2.793641 0.693485 -0.828506
C -0.006006 1.492389 -1.399925
C 3.259080 1.577143 0.317370
C -5.159350 -0.624100 -0.286286
C 3.694690 -0.534626 -0.840315
C -1.993742 3.055214 -1.334796
C 4.477609 0.855579 0.901514
C 5.649901 -1.384249 0.545628
C 5.112522 -2.439922 1.533403
H -3.394004 -1.805530 -0.554253
H -4.728821 -2.193051 1.844208
H -2.946708 -2.314177 1.767326
H -2.899954 1.598176 1.805879
H -1.600317 0.370136 1.992998
H -3.249650 -0.587461 3.510128
H -4.608554 0.153658 2.615600
H -1.111336 2.001982 0.366847
H 2.685573 1.136112 -1.829212
H 0.676069 2.358561 -1.388967
H -0.151457 1.083541 -2.413837
H 3.513352 2.609754 0.031822
H 2.462213 1.611704 1.106611
H -2.943298 3.290965 -0.822421
H -1.329395 3.934792 -1.254224
H -2.220181 2.869970 -2.398938
H 6.505356 -0.840523 0.982309
H 5.964236 -1.861457 -0.398940
H 4.800720 -1.969316 2.481454
H 4.252120 -2.979723 1.102454
H 5.904210 -3.176847 1.757604
H -6.784789 -1.420777 -1.061367


