%chk=000072714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072714

0 1
 S   -3.789100      5.3700000E-02  0.4933000    
 O    4.815000       1.236500       1.544100    
 O   8.1299998E-02  0.9825000      -1.425600    
 O   -4.804300      -3.291700      9.3000002E-02
 N    3.557600     -0.2545000     -0.5680000    
 N    1.014200      -1.325100      -1.244600    
 C    3.624200     -0.6975000      0.8260000    
 C    3.653600      0.4535000       1.848600    
 C    3.414900      -1.395700      -1.463500    
 C    4.749400      0.5240000     -0.9102000    
 C    2.151800      -2.178300      -1.128100    
 C    3.796600     -5.2499998E-02   3.286900    
 C    2.428600       1.363300       1.718300    
 C  -0.2326000      -1.625900     -0.6431000    
 C   -1.231400     -0.6643000     -0.4092000    
 C    4.671300       1.050800      -2.333000    
 C   -2.443500      -1.052200      0.1675000    
 C   -2.636500      -2.403500      0.5025000    
 C  -0.4377000      -2.962500     -0.3039000    
 C  -0.9429000      0.7377000     -0.7935000    
 C   -1.845700       1.854900     -0.4289000    
 C   -1.640700      -3.352000      0.2700000    
 C   -3.102400       1.649900      0.1463000    
 C   -3.906300      -2.905600       1.122500    
 C   -1.400800       3.164800     -0.6808000    
 C   -3.896800       2.765500      0.4621000    
 C   -2.199400       4.261800     -0.3607000    
 C   -3.448700       4.062200      0.2117000    
 H    4.508100      -1.334800      0.9696000    
 H    2.750800      -1.289600       1.110500    
 H    4.284700      -2.063100      -1.409000    
 H    3.315600      -1.074400      -2.506300    
 H    4.778500       1.480600     -0.3983000    
 H    5.687100     -1.9700000E-02 -0.7483000    
 H    2.233100      -2.679900     -0.1588000    
 H    2.062800      -2.985200      -1.867600    
 H    2.941200     -0.6693000       3.580700    
 H    3.881600      0.7825000       3.991600    
 H    4.709900     -0.6475000       3.399500    
 H    2.472600       2.180700       2.447400    
 H    1.499100      0.8081000       1.882100    
 H    2.380300       1.841300      0.7337000    
 H    1.148300     -0.3944000      -1.617600    
 H    4.865600      0.2707000      -3.075700    
 H    3.698800       1.508700      -2.546600    
 H    5.435700       1.821400      -2.488700    
 H    4.852400       1.976000       2.174700    
 H   0.2940000      -3.742300     -0.4909000    
 H   -1.793000      -4.398300      0.5213000    
 H   -4.389700      -2.191800       1.794900    
 H   -3.701400      -3.790300       1.738300    
 H  -0.4264000       3.354700      -1.124600    
 H   -4.881700       2.639100      0.9084000    
 H   -1.844600       5.268900     -0.5581000    
 H   -4.075900       4.912300      0.4626000    
 H   -5.601900      -3.641400      0.5254000    


%chk=000072714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072714

0 1
S -4.047022 0.042050 -0.175193
O 5.017504 1.702765 1.474957
O 0.358607 1.102367 -0.605547
O -5.168732 -2.775944 -0.766354
N 3.831416 -0.385033 -0.451369
N 1.094296 -1.360205 -0.495672
C 4.542505 -0.582809 0.832154
C 4.278715 0.484972 1.929250
C 3.455714 -1.654874 -1.111220
C 4.491666 0.594812 -1.364586
C 2.204240 -2.310944 -0.486859
C 4.905988 0.009321 3.260756
C 2.783908 0.814901 2.088829
C -0.214945 -1.684379 -0.251078
C -1.261717 -0.652640 -0.257004
C 3.509549 1.243268 -2.359421
C -2.616583 -1.085907 -0.054855
C -2.961537 -2.436036 0.212972
C -0.582120 -3.041145 0.014726
C -0.879074 0.760023 -0.423371
C -1.878628 1.866733 -0.346145
C -1.914371 -3.389308 0.244662
C -3.277321 1.678211 -0.214680
C -4.379305 -2.870276 0.488628
C -1.386278 3.202837 -0.414355
C -4.161940 2.786034 -0.161328
C -2.252755 4.304996 -0.357463
C -3.651038 4.094574 -0.230790
H 5.648530 -0.635777 0.685917
H 4.226872 -1.555176 1.255448
H 4.283630 -2.406876 -1.102126
H 3.232467 -1.434878 -2.170050
H 4.925672 1.376795 -0.721158
H 5.337276 0.114887 -1.919732
H 2.421317 -2.658240 0.548118
H 1.954033 -3.214116 -1.080825
H 4.402130 -0.897372 3.644324
H 4.816225 0.795898 4.033535
H 5.979569 -0.212618 3.122993
H 2.637514 1.579934 2.877322
H 2.208130 -0.082224 2.382996
H 2.365423 1.184893 1.139464
H 1.306671 -0.346583 -0.592986
H 3.093878 0.517526 -3.083287
H 2.663239 1.698688 -1.817018
H 4.027915 2.028360 -2.941469
H 4.770177 2.455440 2.070687
H 0.189991 -3.812983 0.047793
H -2.168281 -4.436123 0.451555
H -4.838126 -2.226233 1.270314
H -4.377683 -3.918338 0.849442
H -0.303944 3.325218 -0.517340
H -5.240307 2.618213 -0.063974
H -1.853078 5.322887 -0.412430
H -4.337233 4.947347 -0.185810
H -6.127449 -2.664110 -0.541447


