%chk=000052166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052166

1 1
 S    1.600000       2.978000     -0.4739000    
 O  -0.5345000     -0.4483000     -0.6807000    
 O   6.9499999E-02  0.5569000       1.297600    
 O    1.495600      0.2438000      -1.852700    
 N   -3.925500      0.9308000      0.2145000    
 C   -4.209500      -1.121500      -1.135100    
 C   -4.564800      0.3552000      -1.042600    
 C   -2.397800      0.8405000      0.1227000    
 C   -4.508900      0.2535000       1.461300    
 C   -2.692300      -1.276500      -1.283100    
 C   -1.880700     -0.5565000     -0.2094000    
 C   -4.794100      -1.874900      6.5200001E-02
 C   -4.444700      -1.268300       1.419900    
 C   -4.289500       2.422600      0.2953000    
 C   0.3520000      0.1352000      0.1813000    
 C    1.747900      0.2228000     -0.4375000    
 C    2.584500      -1.014200     -9.9699996E-02
 C    2.442700       1.558400     -0.1343000    
 C    2.478100      -1.556400       1.160000    
 C    3.409400      -1.535400      -1.069200    
 C    3.672100       1.722600      0.3811000    
 C    3.966600       3.110000      0.5168000    
 C    3.240200      -2.683500       1.467800    
 C    4.171300      -2.662600     -0.7614000    
 C    2.925800       3.904200      8.8799998E-02
 C    4.086600      -3.236600      0.5072000    
 H   -4.672300      -1.534800      -2.040500    
 H   -4.183600      0.9191000      -1.902600    
 H   -5.648300      0.5083000     -0.9706000    
 H   -2.034400       1.221000       1.080300    
 H   -2.082300       1.548900     -0.6549000    
 H   -5.559200      0.5645000       1.524400    
 H   -3.980700      0.6492000       2.336200    
 H   -2.415000      -2.338200      -1.301000    
 H   -2.396400     -0.8901000      -2.268600    
 H   -1.842600      -1.179400      0.6869000    
 H   -4.485900      -2.926800      4.2100001E-02
 H   -5.888000      -1.876000     -3.3399999E-02
 H   -5.136200      -1.667500       2.173100    
 H   -3.463400      -1.615500       1.750900    
 H   -3.834500       2.838300       1.199300    
 H   -3.903000       2.924800     -0.5967000    
 H   -5.379000       2.513900      0.3361000    
 H   0.9774000       1.040500      -2.061500    
 H    1.845800      -1.137100       1.934200    
 H    3.504400      -1.099100      -2.058200    
 H    4.361500      0.9378000      0.6621000    
 H    4.894800       3.505500      0.9085000    
 H    3.178400      -3.127600       2.457100    
 H    4.833500      -3.091300      -1.508000    
 H    2.880400       4.984200      7.9599999E-02
 H    4.681400      -4.112900      0.7475000    


%chk=000052166-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052166

1 1
S 1.936993 3.368147 0.545078
O -0.515737 -0.128030 -0.613472
O 0.087817 0.811832 1.426338
O 1.508833 1.005760 -1.807475
N -4.159354 0.836799 -0.085189
C -4.025988 -1.580529 -0.771966
C -4.613921 -0.203006 -1.127933
C -2.621405 0.946380 -0.118774
C -4.712240 0.430814 1.306580
C -2.477289 -1.523599 -0.881321
C -1.858568 -0.401171 -0.032872
C -4.580482 -2.039767 0.603602
C -4.345552 -1.001698 1.729004
C -4.731158 2.205131 -0.442456
C 0.395475 0.493904 0.258428
C 1.791070 0.635431 -0.397262
C 2.444934 -0.766378 -0.292872
C 2.627210 1.712464 0.257694
C 2.834568 -1.281424 0.970180
C 2.612687 -1.552909 -1.455419
C 3.986131 1.695575 0.548521
C 4.503234 2.958957 1.010060
C 3.411272 -2.566787 1.060922
C 3.199461 -2.835489 -1.361245
C 3.545181 3.957405 1.064848
C 3.601757 -3.344974 -0.105454
H -4.386090 -2.290297 -1.540015
H -4.265046 0.155852 -2.112294
H -5.718233 -0.206833 -1.115385
H -2.313101 1.617755 0.699597
H -2.368594 1.416866 -1.086055
H -5.808321 0.541944 1.220514
H -4.338649 1.179467 2.026111
H -2.033379 -2.489927 -0.587382
H -2.192784 -1.349257 -1.936401
H -1.708732 -0.691196 1.019076
H -4.122622 -3.002819 0.889398
H -5.667026 -2.227958 0.497691
H -4.980123 -1.247092 2.600520
H -3.308772 -1.041532 2.099648
H -4.384327 2.945010 0.295656
H -4.383693 2.491847 -1.446824
H -5.830791 2.152678 -0.430653
H 2.334156 1.428790 -2.162427
H 2.692122 -0.679321 1.875026
H 2.278403 -1.157836 -2.419101
H 4.601687 0.800110 0.439166
H 5.546098 3.117493 1.292271
H 3.717269 -2.957430 2.037365
H 3.341622 -3.435149 -2.266836
H 3.649310 4.993986 1.381029
H 4.057489 -4.338490 -0.035040


