%chk=000116052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116052

0 1
 S   -2.103900       1.603500      -1.368100    
 S    3.934100      0.8717000       2.072600    
 S   -1.791600      -1.016700      -2.757600    
 S    3.618000      -2.073300       1.711400    
 O   -2.520900     -0.7924000     -0.1761000    
 O    2.168700     -0.2533000      0.3541000    
 O  -0.5470000      -3.392200      0.4734000    
 N   4.5699999E-02  -2.598100      -1.622800    
 N    1.656100      -2.827200      1.7000000E-03
 C   -1.691800     -0.1504000      -1.173400    
 C    2.788600     -0.4657000       1.644400    
 C   -3.273400       1.453000     -7.3600002E-02
 C    3.486200       1.702200      0.5975000    
 C   -3.336500      0.1487000      0.4024000    
 C    2.572000      0.9618000     -0.1427000    
 C   -4.077700       2.446200      0.4650000    
 C    3.937000       2.933000      0.1445000    
 C   -4.206300     -0.1957000       1.427400    
 C    2.087100       1.432300      -1.354700    
 C   -1.279100      -2.657900      -2.198800    
 C    2.214700      -3.146600       1.299100    
 C   -4.955200       2.111300       1.498600    
 C    3.453900       3.417400      -1.073000    
 C   -5.019400      0.7964000       1.977400    
 C    2.533400       2.670400      -1.819400    
 C   0.3072000      -2.978300     -0.3093000    
 H  -0.6623000     -0.1859000     -0.8061000    
 H    1.986700     -0.4636000       2.390400    
 H   -4.035300       3.467100      9.8499998E-02
 H    4.651700       3.517100      0.7158000    
 H   -4.258200      -1.214100       1.798400    
 H    1.380400      0.8521000      -1.938400    
 H   -1.223300      -3.320400      -3.067300    
 H   -2.007500      -3.074300      -1.497600    
 H    1.444900      -3.073700       2.073300    
 H    2.561600      -4.183200       1.258000    
 H   -5.593700       2.875000       1.934100    
 H    3.794900       4.379400      -1.445400    
 H   -5.707000      0.5483000       2.781100    
 H    2.166700       3.056900      -2.766100    
 H   0.8106000      -2.268100      -2.202700    
 H    2.292800      -2.522500     -0.7276000    


%chk=000116052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116052

0 1
S -1.451016 1.837380 0.111668
S 3.663799 0.746052 2.174593
S -1.527418 -0.607180 -1.762206
S 4.130342 -1.962220 0.786476
O -2.570893 -0.548047 0.822222
O 1.949437 -0.261781 0.305751
O 0.311779 -2.930630 0.774819
N 0.049704 -2.980401 -1.553586
N 2.137002 -3.485851 -0.585099
C -1.423003 -0.069634 0.066362
C 2.793431 -0.762499 1.389500
C -3.243275 1.720719 0.471439
C 3.350163 1.653244 0.614371
C -3.622891 0.398951 0.807039
C 2.442312 0.958960 -0.218615
C -4.195008 2.754679 0.483468
C 3.859921 2.901362 0.217512
C -4.939762 0.072616 1.158473
C 2.011354 1.476480 -1.447744
C -1.315603 -2.506342 -1.514198
C 3.051981 -3.541423 0.528319
C -5.532286 2.440410 0.839181
C 3.436516 3.439450 -1.025491
C -5.898928 1.115677 1.173154
C 2.521603 2.737494 -1.844659
C 0.801872 -3.108117 -0.381956
H -0.512221 -0.471835 0.525222
H 2.131281 -1.266765 2.105355
H -3.915453 3.780285 0.224183
H 4.564936 3.449549 0.849621
H -5.201694 -0.958457 1.411535
H 1.289894 0.921494 -2.055240
H -1.911788 -2.954831 -2.323022
H -1.757597 -2.741197 -0.534642
H 2.475832 -3.703389 1.450717
H 3.802483 -4.336384 0.396149
H -6.285019 3.235475 0.850717
H 3.824802 4.411117 -1.347875
H -6.935260 0.886972 1.442741
H 2.198807 3.169094 -2.797613
H 0.513986 -3.028660 -2.461847
H 2.528776 -3.491622 -1.528390


