%chk=000133624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133624

0 1
 S   0.6254000      0.8768000      0.2539000    
 O   0.7622000       2.289500     -3.8699999E-02
 O    1.248100      0.2484000       1.400300    
 N    1.310200      0.1204000      -1.138200    
 N   0.6279000     -0.1185000      -2.230600    
 N    2.744200     -0.8000000      -2.395400    
 N    1.523300     -0.6956000      -3.022600    
 N    3.650900      -1.209400      0.6644000    
 C   -1.069100      0.4213000      0.2435000    
 C   -2.055700       1.405100      0.1747000    
 C   -1.429700     -0.9249000      0.3044000    
 C   -1.707600       2.856700      0.1087000    
 C  -0.4011000      -2.006200      0.3784000    
 C   -3.763100     -0.3031000      0.2278000    
 C   -3.402700       1.042900      0.1669000    
 C   -2.776700      -1.287000      0.2966000    
 C   -5.203400     -0.6906000      0.2192000    
 C   -2.238400       3.642300       1.321300    
 C   -2.189800       3.516400      -1.196000    
 C  -0.4533000      -2.948700     -0.8377000    
 C  -0.5015000      -2.822500       1.679500    
 C   -5.625000      -1.418000       1.510000    
 C   -5.576100      -1.544800      -1.007200    
 C    2.576400     -0.2740000      -1.204000    
 C    3.580700     -0.1545000     -0.1761000    
 C    4.388900      0.9658000     -8.9699998E-02
 C    5.334300       1.006300      0.9290000    
 C    4.581600      -1.134300       1.642100    
 C    5.439000     -5.9799999E-02   1.815600    
 H  -0.7233000       3.237400      0.1877000    
 H   0.6217000      -1.655300      0.3843000    
 H   -4.178600       1.802200      0.1135000    
 H   -3.061300      -2.334700      0.3421000    
 H   -5.816100      0.2194000      0.1615000    
 H   -1.846500       3.226000       2.256600    
 H   -1.939700       4.696400       1.273200    
 H   -3.332200       3.621300       1.378100    
 H   -3.279600       3.484200      -1.298400    
 H   -1.891400       4.570600      -1.234000    
 H   -1.751400       3.015600      -2.066400    
 H   -1.346200      -3.583700     -0.8149000    
 H   0.4171000      -3.614300     -0.8432000    
 H  -0.4697000      -2.406000      -1.785400    
 H  -0.4259000      -2.168600       2.555600    
 H   0.3112000      -3.555300       1.737400    
 H   -1.445900      -3.372400       1.751200    
 H   -5.385700     -0.8142000       2.392400    
 H   -6.704800      -1.602200       1.511400    
 H   -5.122000      -2.384900       1.618800    
 H   -5.071400      -2.516800     -0.9988000    
 H   -6.655400      -1.730100      -1.032000    
 H   -5.301500      -1.032300      -1.936000    
 H    4.299100       1.793400     -0.7858000    
 H    5.987900       1.867100       1.032300    
 H    4.622100      -1.990500       2.307200    
 H    6.168200     -4.9600001E-02   2.617400    


%chk=000133624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133624

0 1
S 0.458929 1.537648 0.981619
O 0.595282 3.136281 0.802809
O 1.099365 0.893822 2.314325
N 1.426424 0.858792 -0.779990
N 0.696587 1.316313 -1.877619
N 2.654400 0.422885 -2.591950
N 1.442411 1.044626 -2.977136
N 3.321255 -0.571092 0.892106
C -1.275916 0.796015 0.623112
C -2.376028 1.667513 0.396571
C -1.331492 -0.623758 0.648349
C -2.327285 3.197244 0.273295
C -0.145492 -1.579142 0.857229
C -3.767475 -0.394187 0.242429
C -3.621740 1.008902 0.217584
C -2.616706 -1.185124 0.457102
C -5.139941 -1.036223 0.032988
C -3.573857 3.900342 0.862443
C -2.124110 3.580048 -1.221720
C -0.003002 -2.555003 -0.341125
C -0.294422 -2.344342 2.199744
C -5.589779 -1.830622 1.289152
C -5.156840 -1.940496 -1.228814
C 2.622205 0.321669 -1.231204
C 3.666556 -0.282170 -0.401431
C 4.952907 -0.544387 -0.937908
C 5.925055 -1.116819 -0.091840
C 4.274324 -1.115572 1.696705
C 5.586241 -1.404240 1.252041
H -1.447682 3.575277 0.821647
H 0.802600 -1.021363 0.928943
H -4.508077 1.628937 0.048603
H -2.704979 -2.276900 0.473986
H -5.871699 -0.219710 -0.128153
H -3.776776 3.577912 1.899927
H -3.399863 4.991425 0.871203
H -4.483069 3.724684 0.258143
H -2.989225 3.252927 -1.829184
H -2.030181 4.677124 -1.316430
H -1.214231 3.114282 -1.635797
H -0.874199 -3.229218 -0.434809
H 0.894094 -3.184566 -0.198544
H 0.109248 -2.008345 -1.294523
H -0.313373 -1.641688 3.050994
H 0.565298 -3.025421 2.336619
H -1.218298 -2.951753 2.225143
H -5.611313 -1.186723 2.186546
H -6.601968 -2.248058 1.137163
H -4.904384 -2.674199 1.492803
H -4.463930 -2.794809 -1.115774
H -6.170426 -2.348963 -1.394799
H -4.857009 -1.378177 -2.130943
H 5.158978 -0.295184 -1.982556
H 6.929649 -1.330266 -0.470828
H 3.965853 -1.321721 2.727278
H 6.315707 -1.841726 1.940377


