%chk=000132007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132007

0 1
 S   -1.465300     -0.6348000      0.2913000    
 O    3.244300     -0.1623000      -1.019800    
 N  -0.5403000       3.498900     -0.4522000    
 N   -3.045100       1.417500      0.8754000    
 N   -4.044500     -0.6369000      0.2773000    
 C   0.4503000       3.897900      -1.444800    
 C    1.846200       3.321700      -1.193700    
 C    1.883800       1.794600      -1.256000    
 C   -2.124500       2.358800      0.5811000    
 C   -1.326800       2.389200     -0.5413000    
 C  -0.8094000       4.182900      0.6957000    
 C   -1.797300       3.493400       1.363700    
 C    3.277800       1.257000     -0.9617000    
 C   -2.987700      6.2500000E-02  0.4851000    
 C   -4.285600       1.838100       1.582600    
 C   -2.255800      -2.105700     -0.1380000    
 C   -3.639600      -1.912100     -8.9299999E-02
 C    4.140500     -0.8351000     -0.2304000    
 C   -1.692000      -3.341900     -0.4923000    
 C   -4.486900      -2.995800     -0.4069000    
 C   -2.552800      -4.397900     -0.8020000    
 C   -3.932500      -4.229300     -0.7606000    
 C    5.366600     -0.2524000      6.8499997E-02
 C    3.813600      -2.093000      0.2625000    
 C    6.278800     -0.9374000      0.8711000    
 C    4.725800      -2.777900       1.065300    
 C    5.958500      -2.200000       1.369600    
 H   0.4894000       4.993500      -1.439800    
 H   7.2899997E-02   3.589600      -2.426900    
 H    2.204000       3.655000     -0.2115000    
 H    2.535000       3.732300      -1.941600    
 H    1.550900       1.443200      -2.240200    
 H    1.197200       1.354300     -0.5257000    
 H   -1.271500       1.744500      -1.408900    
 H  -0.2837000       5.093200      0.9511000    
 H   -2.217600       3.785200       2.316500    
 H    3.988800       1.630400      -1.707700    
 H    3.571400       1.615000      3.3900000E-02
 H   -4.369400       2.925800       1.682500    
 H   -4.305200       1.398900       2.585900    
 H   -5.176200       1.509300       1.034700    
 H  -0.6157000      -3.480700     -0.5268000    
 H   -5.566100      -2.875100     -0.3777000    
 H   -2.136900      -5.363200      -1.078900    
 H   -4.586400      -5.062000      -1.004700    
 H    5.666300      0.7151000     -0.3223000    
 H    2.854500      -2.546100      2.8100001E-02
 H    7.241300     -0.4908000       1.103000    
 H    4.476500      -3.761200       1.453300    
 H    6.669400      -2.734000       1.993300    


%chk=000132007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132007

0 1
S -1.565605 -0.494703 0.188536
O 3.277742 -0.122995 -0.617138
N -0.592392 3.676121 -0.478920
N -3.477405 1.594569 0.324466
N -4.284967 -0.647399 0.204709
C 0.610246 4.055444 -1.243077
C 1.916405 3.426277 -0.699308
C 1.976426 1.891704 -0.862668
C -2.405647 2.532232 0.243013
C -1.448222 2.617576 -0.783020
C -1.007936 4.274246 0.713939
C -2.130659 3.585979 1.186611
C 3.291733 1.319915 -0.327115
C -3.295223 0.233364 0.229145
C -4.869345 2.074977 0.497732
C -2.382797 -2.124221 0.149003
C -3.809760 -1.971113 0.166870
C 4.395238 -0.882077 -0.229268
C -1.772004 -3.389064 0.100625
C -4.625381 -3.127334 0.140858
C -2.605224 -4.534208 0.073203
C -4.017570 -4.400057 0.093980
C 5.532478 -0.354703 0.432821
C 4.329335 -2.262080 -0.547445
C 6.599154 -1.220863 0.771198
C 5.399743 -3.110280 -0.203652
C 6.542913 -2.596187 0.458158
H 0.692441 5.157796 -1.224668
H 0.457427 3.752958 -2.295371
H 2.029788 3.702114 0.368101
H 2.763175 3.893724 -1.242965
H 1.885298 1.620777 -1.932686
H 1.133136 1.412066 -0.333272
H -1.321518 2.015437 -1.679233
H -0.477335 5.128476 1.130083
H -2.679333 3.799678 2.102341
H 4.164547 1.792319 -0.827242
H 3.380063 1.483395 0.767755
H -4.850463 3.172881 0.566965
H -5.317253 1.642365 1.409529
H -5.491128 1.766023 -0.361441
H -0.682594 -3.494932 0.087114
H -5.713252 -3.011404 0.158080
H -2.150431 -5.529973 0.036457
H -4.645675 -5.297591 0.073507
H 5.598961 0.707192 0.687531
H 3.438961 -2.640299 -1.059300
H 7.477095 -0.811183 1.283773
H 5.342777 -4.175903 -0.452634
H 7.373035 -3.258834 0.724119


