%chk=000049056.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049056

0 1
 S    3.880600      -2.457800     -0.6614000    
 O  -0.1758000      0.8198000      2.5100000E-02
 O   0.6843000       2.747900      0.9427000    
 N   -4.814000     -0.5705000     -9.3400002E-02
 C   -3.903000      0.4859000      0.3306000    
 C   -2.469400      0.1341000     -5.3300001E-02
 C   -5.118600     -0.4468000      -1.520000    
 C   -6.047900     -0.5342000      0.6938000    
 C   -1.490500       1.210200      0.3966000    
 C   -6.014600      -1.580000      -1.990400    
 C   -5.755300     -0.6611000       2.179200    
 C   0.8226000       1.683700      0.3597000    
 C    2.140600       1.163100     -8.3099999E-02
 C    2.360500     -0.2125000     -0.1538000    
 C    3.159600       2.050800     -0.4285000    
 C    3.599100     -0.7003000     -0.5700000    
 C    4.618100      0.1875000     -0.9154000    
 C    4.398300       1.563200     -0.8446000    
 C    5.260800      -2.671200      0.4979000    
 C    4.864800      -2.211800       1.888200    
 H   -4.192100       1.458600     -8.9100003E-02
 H   -3.875800      0.6251000       1.413700    
 H   -2.356600      3.3000000E-03  -1.135400    
 H   -2.178400     -0.8255000      0.3944000    
 H   -5.594400      0.5142000      -1.753700    
 H   -4.199100     -0.5020000      -2.112000    
 H   -6.627000      0.3793000      0.5090000    
 H   -6.685800      -1.388200      0.4443000    
 H   -1.736800       2.165100     -8.2599998E-02
 H   -1.538700       1.332000       1.485200    
 H   -5.644300      -2.555600      -1.657300    
 H   -7.051100      -1.460300      -1.660500    
 H   -6.037100      -1.597300      -3.085900    
 H   -4.997500      -1.424400       2.387600    
 H   -5.451600      0.2860000       2.635300    
 H   -6.669200     -0.9665000       2.702600    
 H    1.576200     -0.9126000      0.1259000    
 H    3.003300       3.125300     -0.3818000    
 H    5.588900     -0.1691000      -1.250100    
 H    5.190800       2.254400      -1.115800    
 H    6.142800      -2.127600      0.1461000    
 H    5.518700      -3.734800      0.5209000    
 H    5.673300      -2.439800       2.591700    
 H    3.966900      -2.727000       2.246600    
 H    4.694700      -1.132200       1.941100    


%chk=000049056-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049056

0 1
S 3.977443 -2.211367 -1.159163
O -0.114448 1.033918 -0.055211
O 0.645112 3.209117 0.296493
N -4.822359 -0.468422 0.029122
C -3.909820 0.687874 0.220675
C -2.426258 0.300565 0.021543
C -5.083507 -0.752552 -1.409275
C -6.074330 -0.352572 0.826061
C -1.508935 1.514820 0.167819
C -5.482708 -2.217305 -1.672192
C -5.863445 -0.646270 2.323705
C 0.886982 2.002890 0.037909
C 2.246177 1.433025 -0.203603
C 2.441688 0.056072 -0.488697
C 3.358050 2.310292 -0.132631
C 3.745451 -0.434024 -0.717339
C 4.854808 0.445762 -0.660423
C 4.658678 1.812909 -0.357359
C 4.998857 -2.799394 0.342641
C 4.182315 -2.839396 1.639669
H -4.174080 1.537776 -0.461256
H -4.039876 1.065566 1.252005
H -2.275411 -0.146235 -0.978763
H -2.156952 -0.471233 0.764142
H -5.865868 -0.065338 -1.822889
H -4.155181 -0.538731 -1.970423
H -6.548624 0.654611 0.698885
H -6.794846 -1.088093 0.425162
H -1.729236 2.303972 -0.575678
H -1.564949 1.969416 1.174823
H -4.689596 -2.895820 -1.313286
H -6.422109 -2.490512 -1.157896
H -5.633885 -2.387357 -2.754678
H -5.449618 -1.661007 2.455339
H -5.163784 0.069230 2.792918
H -6.823495 -0.579393 2.869059
H 1.581380 -0.616759 -0.526242
H 3.180121 3.366648 0.093409
H 5.860735 0.065522 -0.870235
H 5.519542 2.488431 -0.313179
H 5.876015 -2.135572 0.426898
H 5.349020 -3.802202 0.041903
H 4.811083 -3.194055 2.479396
H 3.318050 -3.518994 1.542065
H 3.802114 -1.835411 1.898875


