%chk=000210289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210289

0 1
S -6.616085 0.345786 0.378880
S -7.928097 0.712814 -0.918911
O -5.204203 0.180369 -0.435074
O -6.787727 -1.211531 0.927642
O -6.377647 1.089288 1.575351
N -1.576068 0.013858 -0.068748
C 3.846950 0.172505 0.116204
C 3.313480 -1.222543 -0.311266
C 3.880867 1.159683 -1.069967
C 5.267844 0.054996 0.712071
C 4.407050 2.534535 -0.633587
C 5.796507 1.422064 1.164275
C 1.952311 -1.144471 -1.037903
C 5.799136 2.426594 0.003685
C 3.224877 -2.171297 0.905615
C 0.837459 -0.505340 -0.202105
C 3.134562 -3.639956 0.499565
C -0.504070 -0.544469 -0.950911
C -2.883032 0.143544 -0.774545
C -3.968271 -0.046443 0.297143
H 3.169488 0.586275 0.900864
H 4.045794 -1.656877 -1.037568
H 4.519111 0.753652 -1.876961
H 2.870715 1.273715 -1.504655
H 5.261307 -0.648969 1.568212
H 5.954188 -0.382893 -0.036783
H 4.443611 3.214946 -1.504485
H 3.702301 2.994161 0.085425
H 5.175370 1.809852 1.994165
H 6.818723 1.313576 1.571768
H 2.074923 -0.589468 -1.988091
H 1.653356 -2.171791 -1.330068
H 6.536529 2.113295 -0.759899
H 6.129980 3.418717 0.361648
H 2.349844 -1.899482 1.529257
H 4.111665 -2.027119 1.558628
H 1.105715 0.536895 0.056709
H 0.739447 -1.039267 0.767202
H 3.076498 -4.289543 1.380258
H 4.007946 -3.953827 -0.082872
H 2.244554 -3.836558 -0.109944
H -0.776476 -1.598065 -1.186251
H -0.417700 -0.010066 -1.921419
H -1.289175 0.929601 0.294710
H -3.027164 1.116612 -1.291467
H -3.002200 -0.638347 -1.557214
H -3.888095 0.686819 1.120084
H -3.985004 -1.078391 0.690949
H -6.692995 -1.363238 1.886679


%chk=000210289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210289

0 1
S -6.456527 -0.720541 -0.851908
S -8.175909 0.269876 -1.618331
O -5.085099 0.557690 -0.403271
O -5.429894 -1.515690 -2.223209
O -6.574907 -1.868749 0.286738
N -1.570987 0.767211 0.777020
C 3.901407 0.185925 0.096014
C 3.129662 -1.173355 0.243773
C 3.696036 0.831897 -1.302077
C 5.424765 0.013070 0.362080
C 4.493275 2.146393 -1.481979
C 6.221841 1.328058 0.182011
C 1.651556 -1.102334 -0.243318
C 6.000944 1.938826 -1.219234
C 3.235377 -1.734348 1.693357
C 0.742168 -0.131990 0.546566
C 2.548978 -3.100543 1.915471
C -0.700379 -0.131894 0.000132
C -2.850499 1.183178 0.227335
C -3.869986 -0.026156 0.121785
H 3.506944 0.895362 0.858615
H 3.640262 -1.903244 -0.426087
H 4.010790 0.104375 -2.081307
H 2.623708 1.040220 -1.475990
H 5.601100 -0.373793 1.383289
H 5.820118 -0.750921 -0.342039
H 4.329457 2.547274 -2.501458
H 4.104366 2.907396 -0.773194
H 5.897425 2.059746 0.951422
H 7.299155 1.139012 0.356607
H 1.631179 -0.821398 -1.314477
H 1.212681 -2.119164 -0.198027
H 6.416947 1.254365 -1.987653
H 6.545694 2.898294 -1.313604
H 2.823719 -0.991726 2.407786
H 4.304425 -1.843670 1.953845
H 1.136167 0.900569 0.502874
H 0.724494 -0.422488 1.617443
H 2.786355 -3.498354 2.919419
H 2.893307 -3.843029 1.170386
H 1.448300 -3.035134 1.839619
H -1.077225 -1.183425 -0.016639
H -0.705089 0.221315 -1.049878
H -1.555536 0.602886 1.789489
H -3.300445 1.962350 0.864631
H -2.708733 1.598220 -0.785004
H -4.029087 -0.465615 1.126941
H -3.462224 -0.787422 -0.570537
H -5.721980 -2.474320 -2.259131


