%chk=000043785.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043785

0 1
 S  -0.2424000       1.946600      -1.334900    
 O  -0.6100000     -0.5694000      -1.929300    
 O    2.504600       1.809700      0.1123000    
 O    1.504600      -1.576600      0.8131000    
 O    3.382900      -2.247900       1.894500    
 N   -1.905200      0.1757000     -0.1471000    
 N    2.760700     -0.2035000      -1.020400    
 C   -2.300800       1.275300      0.7345000    
 C   -2.564600      -1.096800      0.1210000    
 C   -1.425700       1.365100       1.978900    
 C   -3.859100      -1.257200     -0.6671000    
 C  -0.9613000      0.3346000      -1.174300    
 C   -1.843900       2.492600       2.912200    
 C   -4.565300      -2.573900     -0.3767000    
 C    1.388200       1.530400      -1.990900    
 C    2.274700       1.082600     -0.8527000    
 C    3.616400     -0.8573000     -5.6499999E-02
 C    2.846100      -1.629800      0.9833000    
 H   -3.344000       1.112100       1.034400    
 H   -2.310000       2.229000      0.1995000    
 H   -2.743300      -1.193700       1.197900    
 H   -1.875700      -1.901700     -0.1624000    
 H  -0.3759000       1.507900       1.698700    
 H   -1.467100      0.4182000       2.530500    
 H   -4.541900     -0.4310000     -0.4363000    
 H   -3.647900      -1.192900      -1.741400    
 H   -1.772700       3.462000       2.408900    
 H   -2.875200       2.355800       3.252600    
 H   -1.194600       2.517000       3.792800    
 H   -3.926900      -3.424600     -0.6352000    
 H   -4.828200      -2.650300      0.6832000    
 H   -5.486500      -2.648200     -0.9629000    
 H    1.321700      0.7904000      -2.792900    
 H    1.835500       2.432900      -2.420300    
 H    2.492600     -0.7356000      -1.842900    
 H    4.254000      -1.553400     -0.6084000    
 H    4.227100     -0.1046000      0.4506000    
 H    1.025500      -2.085400       1.501500    


%chk=000043785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043785

0 1
S 0.090624 1.953900 -0.682238
O -0.317519 -0.704915 -1.320223
O 3.736492 1.530927 -1.238581
O 2.250879 -1.100022 1.498411
O 4.055734 -2.560880 1.467319
N -1.902716 0.222008 0.116886
N 2.510951 -0.458609 -1.145126
C -2.435002 1.370362 0.888045
C -2.621640 -1.077592 0.212995
C -1.857989 1.462559 2.320885
C -3.708396 -1.239963 -0.873970
C -0.774370 0.279536 -0.657333
C -2.458104 2.652901 3.098465
C -4.466607 -2.575943 -0.722318
C 1.401528 1.550916 -1.993507
C 2.656010 0.888459 -1.417633
C 3.593333 -1.216300 -0.539703
C 3.350908 -1.708316 0.884864
H -3.535415 1.260835 0.932151
H -2.229437 2.307163 0.336691
H -3.072972 -1.138148 1.221779
H -1.878357 -1.888180 0.118588
H -0.758537 1.564682 2.258090
H -2.064627 0.516359 2.859060
H -4.420647 -0.393126 -0.816279
H -3.223380 -1.188667 -1.866136
H -2.231580 3.611775 2.596252
H -3.557980 2.566807 3.184749
H -2.043945 2.704958 4.120778
H -3.776972 -3.436437 -0.805589
H -4.974976 -2.643129 0.258287
H -5.235554 -2.685415 -1.507448
H 0.907052 0.914430 -2.745157
H 1.673139 2.526325 -2.421460
H 1.564846 -0.862435 -1.245498
H 3.862896 -2.104991 -1.140095
H 4.482022 -0.554013 -0.518602
H 2.176707 -1.443722 2.430399


