%chk=000133476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133476

0 1
 S   0.6960000      -2.530400      0.7512000    
 O    3.363500     -0.5411000       1.998100    
 O   0.5546000      -3.477100       1.841000    
 O    1.693800      -2.747300     -0.2790000    
 N    3.912600      0.1404000     -0.1540000    
 N   0.8871000     -0.9635000       1.388700    
 N   -4.894500       2.981700      -1.090400    
 N   -5.329900       2.131500       1.042400    
 C    3.534500      0.5783000      -1.503600    
 C    5.351000     -4.4500001E-02  5.0299998E-02
 C    4.269200       1.862500      -1.882000    
 C    6.119500       1.227500     -0.2973000    
 C    5.779500       1.711100      -1.706100    
 C    1.559200      8.0700003E-02  0.5943000    
 C    3.022900     -0.1376000      0.8831000    
 C    1.131500       1.469300       1.044600    
 C  -0.3359000       1.722300      0.7986000    
 C  -0.8669000      -2.400600     -6.4400002E-02
 C  -0.7374000       2.270900     -0.4094000    
 C   -1.256100       1.401100       1.784000    
 C   -2.093600       2.504000     -0.6377000    
 C   -2.612300       1.634100       1.555800    
 C  -0.9067000      -2.006300      -1.390600    
 C   -2.022100      -2.696000      0.6384000    
 C   -3.031000       2.185700      0.3449000    
 C   -2.140200      -1.904300      -2.034000    
 C   -3.255500      -2.594100     -4.9000001E-03
 C   -3.314500      -2.198100      -1.341100    
 C   -4.444900       2.430300      0.1080000    
 C   -4.633200      -2.090400      -2.029200    
 H    3.800300     -0.2323000      -2.192300    
 H    2.469800      0.7661000      -1.621000    
 H    5.564300     -0.3337000       1.084100    
 H    5.668500     -0.8729000     -0.5941000    
 H    4.041300       2.130800      -2.919400    
 H    3.914500       2.684800      -1.248000    
 H    5.864900       2.014800      0.4234000    
 H    7.196800       1.047200     -0.2146000    
 H    6.163500      0.9940000      -2.441900    
 H    6.274700       2.668900      -1.900500    
 H    1.284000     -9.5799997E-02 -0.4443000    
 H    1.723600       2.234400      0.5251000    
 H    1.349800       1.618400       2.111400    
 H   0.8913000     -0.8419000       2.409200    
 H  -1.4000000E-02   2.518500      -1.181200    
 H  -0.9415000      0.9742000       2.732000    
 H   -2.364600       2.932900      -1.596100    
 H   -3.315700       1.374500       2.342200    
 H  -5.2999998E-03  -1.766600      -1.945900    
 H   -1.996400      -2.997500       1.681000    
 H   -2.173500      -1.591200      -3.074100    
 H   -4.163800      -2.821800      0.5466000    
 H   -5.350300      -2.812600      -1.624200    
 H   -4.538800      -2.299000      -3.100300    
 H   -5.040700      -1.082400      -1.902700    
 H   -4.285500       3.239200      -1.856900    
 H   -5.885200       3.146200      -1.236500    
 H   -6.262900       2.375500      0.6921000    


%chk=000133476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133476

0 1
S 0.601697 -2.739592 0.127297
O 3.576783 -0.824158 1.873824
O 0.951022 -4.035184 1.048267
O 1.255185 -2.513798 -1.359870
N 4.172472 0.247028 -0.107044
N 0.995300 -1.218987 1.182237
N -4.457689 3.580052 -1.642260
N -5.216148 1.456265 -0.768801
C 3.885781 0.818880 -1.442950
C 5.617153 0.167474 0.230715
C 4.523622 2.220383 -1.591778
C 6.283194 1.555743 0.116807
C 6.037779 2.175580 -1.278844
C 1.730776 -0.174518 0.428216
C 3.244759 -0.281015 0.765023
C 1.196799 1.237027 0.856853
C -0.216002 1.523435 0.378147
C -1.259419 -2.599682 -0.057654
C -0.437539 2.345566 -0.756219
C -1.347180 0.972904 1.038254
C -1.744198 2.620280 -1.214433
C -2.652327 1.240813 0.582282
C -1.768867 -1.992862 -1.216418
C -2.066301 -3.084029 0.982478
C -2.869775 2.073065 -0.545290
C -3.166453 -1.836082 -1.312684
C -3.464279 -2.917082 0.858287
C -4.031875 -2.276307 -0.274767
C -4.272053 2.352750 -0.996163
C -5.520562 -2.017120 -0.372508
H 4.304784 0.138366 -2.213678
H 2.799889 0.870017 -1.611017
H 5.694536 -0.247096 1.248076
H 6.103057 -0.542959 -0.470704
H 4.347794 2.587236 -2.621076
H 4.023087 2.924809 -0.897642
H 5.870576 2.220353 0.900702
H 7.367425 1.451472 0.310919
H 6.551709 1.562440 -2.047998
H 6.472216 3.191035 -1.334666
H 1.552302 -0.338993 -0.650231
H 1.889139 2.002152 0.455834
H 1.258465 1.287761 1.959415
H 1.622096 -1.582334 1.942218
H 0.420929 2.777743 -1.286763
H -1.190062 0.320089 1.902404
H -1.878187 3.228237 -2.117205
H -3.525165 0.811420 1.083511
H -1.092438 -1.656898 -2.008591
H -1.620137 -3.580556 1.850084
H -3.593415 -1.338299 -2.190242
H -4.120483 -3.279101 1.657945
H -6.071924 -2.459782 0.474608
H -5.941353 -2.429589 -1.308630
H -5.692791 -0.922135 -0.383102
H -3.736657 4.297983 -1.619868
H -5.368853 3.830024 -2.021555
H -6.158894 1.772575 -1.080951


