%chk=000086288.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086288

0 1
 S    2.601800       3.462300     -8.6599998E-02
 O   -1.084600      -1.824900     -2.0999999E-03
 O    1.651400      -4.159500      0.5775000    
 O    2.407600      0.6113000       1.412500    
 O    1.789100       3.351200       1.122900    
 O    3.501100       4.613700     -0.1241000    
 O    1.893500       3.189500      -1.335500    
 N    2.976500      -1.660700     -0.5788000    
 C    1.819200      -1.779200      0.3429000    
 C    3.836700     -0.4412000     -0.2199000    
 C   0.9914000      -3.019700      2.4499999E-02
 C    2.960700      0.7671000      0.1059000    
 C    2.503100      -1.500400      -2.030000    
 C    3.864700      -2.910200     -0.5018000    
 C  -0.4394000      -2.963900      0.5515000    
 C   -3.098800     -0.4794000     -0.1725000    
 C    3.712000       2.092400      5.0600000E-02
 C   -2.433200      -1.725500      0.4344000    
 C   -4.612000     -0.5101000      0.1293000    
 C   -2.395800      0.8292000      0.2532000    
 C   -5.397300      0.6120000     -0.5578000    
 C   -6.894400      0.5826000     -0.2383000    
 C   -2.477600       1.154000       1.738400    
 C   -7.675800       1.709300     -0.8965000    
 H    1.170400     -0.9128000      0.2048000    
 H    2.200100      -1.828700       1.369900    
 H    4.517000     -0.2539000      -1.057900    
 H    4.427700     -0.7234000      0.6603000    
 H   0.9030000      -3.187600      -1.050600    
 H    2.127500      0.8168000     -0.6010000    
 H    1.691600     -0.7691000      -2.068500    
 H    3.348800      -1.160400      -2.636200    
 H    2.172100      -2.463400      -2.425800    
 H    4.081700      -3.123200      0.5490000    
 H    3.375700      -3.749700      -1.001500    
 H    4.796100      -2.688400      -1.033800    
 H  -0.4336000      -2.899600       1.646700    
 H  -0.9777000      -3.879000      0.2760000    
 H   -2.973200     -0.5479000      -1.262400    
 H    4.366500       2.137600     -0.8264000    
 H    4.312100       2.248900      0.9533000    
 H   -2.472100      -1.696400       1.529100    
 H   -2.971000      -2.622600      0.1034000    
 H   -4.781100     -0.4685000       1.211900    
 H   -5.023200      -1.470600     -0.2074000    
 H   -1.336300      0.7743000     -2.8100001E-02
 H   -2.803100       1.671700     -0.3168000    
 H   -5.255600      0.5428000      -1.643100    
 H   -5.007200       1.586700     -0.2454000    
 H    1.125500      -4.944400      0.3474000    
 H    1.761700       1.324100       1.550600    
 H   -7.035600      0.6427000      0.8474000    
 H   -7.315500     -0.3769000     -0.5612000    
 H   -2.012200      0.3757000       2.349200    
 H   -3.512500       1.284800       2.066400    
 H   -1.947400       2.090600       1.941400    
 H   -7.307300       2.685300     -0.5650000    
 H   -7.587000       1.660600      -1.986300    
 H   -8.736600       1.639000     -0.6368000    


%chk=000086288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086288

0 1
S 2.297034 3.640034 -0.243312
O -1.217238 -2.220586 -0.194670
O 1.670532 -4.525558 -0.024227
O 1.373658 0.638670 -0.209393
O 0.703031 3.054946 -0.082702
O 2.623182 4.930166 0.687262
O 2.831007 3.637668 -1.792966
N 3.025381 -1.718201 -0.407784
C 1.722335 -2.117635 0.336296
C 3.537932 -0.384253 0.220669
C 0.921134 -3.273240 -0.254104
C 2.807014 0.873044 -0.285252
C 2.765004 -1.526438 -1.897123
C 4.104172 -2.779443 -0.207727
C -0.467960 -3.299864 0.425260
C -3.108149 -0.666508 -0.206885
C 3.234191 2.092406 0.547451
C -2.435316 -1.826336 0.546718
C -4.510865 -0.413291 0.414318
C -2.203717 0.597931 -0.272201
C -5.337981 0.672416 -0.310209
C -6.772248 0.804557 0.251395
C -1.952841 1.321488 1.070472
C -7.593896 1.906175 -0.452411
H 1.113243 -1.191186 0.327096
H 2.030819 -2.371675 1.366582
H 4.614839 -0.319671 -0.017960
H 3.410299 -0.503066 1.310924
H 0.727538 -3.125531 -1.335345
H 3.107873 1.087610 -1.336938
H 1.892005 -0.865381 -2.009077
H 3.654908 -1.066089 -2.353936
H 2.584287 -2.509624 -2.355616
H 4.401316 -2.781682 0.852865
H 3.683402 -3.761671 -0.467166
H 4.970620 -2.527253 -0.839667
H -0.378569 -3.163807 1.526150
H -0.955731 -4.285933 0.239887
H -3.261057 -1.017052 -1.250642
H 4.302223 2.351037 0.468256
H 2.874401 2.066965 1.588308
H -2.150462 -1.525551 1.578821
H -3.121916 -2.699509 0.611201
H -4.404867 -0.132718 1.482834
H -5.086989 -1.363807 0.399435
H -1.231981 0.305882 -0.711354
H -2.654319 1.316801 -0.983080
H -5.388521 0.436209 -1.393890
H -4.827150 1.651804 -0.227997
H 1.117924 -5.298313 -0.305994
H 0.909490 1.619942 -0.191757
H -6.718428 1.020465 1.338316
H -7.294882 -0.169463 0.153263
H -1.465059 0.660828 1.813267
H -2.891743 1.698310 1.518097
H -1.280508 2.183730 0.908641
H -7.112043 2.894921 -0.334681
H -7.680424 1.704130 -1.536830
H -8.616735 1.977200 -0.038587


