%chk=000113625.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113625

0 1
 S    1.229800       2.699000      0.6639000    
 O    2.346700       3.595400      0.4249000    
 O   0.1527000       3.126800       1.539000    
 O    1.861500      -1.621400       1.440800    
 O    3.802700      -2.996300      1.2800000E-02
 N   0.5532000       2.238500     -0.8637000    
 N    1.812600       1.207100       1.260600    
 N    3.660200       1.095300     -0.1909000    
 N    4.653800      -1.010100     -0.8133000    
 N   -4.464900     -0.2828000     -0.8047000    
 N   -5.915000      -1.359400      0.4570000    
 N   -4.707700     -0.7225000      0.3401000    
 C  -0.7223000       1.597500     -0.8489000    
 C    2.783400      0.4040000      0.5556000    
 C   -1.869000       2.333200     -0.5498000    
 C  -0.8221000      0.2356000      -1.133500    
 C    2.764200     -0.9630000      0.6769000    
 C   -3.215000      0.3451000     -0.8198000    
 C   -3.115400       1.707000     -0.5351000    
 C   -2.068500     -0.3906000      -1.119000    
 C    3.736800      -1.628700     -4.0800001E-02
 C    4.559200      0.3329000     -0.8423000    
 C    1.006500      -2.561500      0.7844000    
 C    4.829400      -3.618100     -0.7509000    
 C   -6.319200      -1.695700       1.807100    
 C   -6.533600      -2.067600     -0.6504000    
 H    1.221200       1.853900      -1.544600    
 H    1.129500      0.6407000       1.781700    
 H   -1.810200       3.398200     -0.3405000    
 H   6.4000003E-02 -0.3442000      -1.375700    
 H   -4.003500       2.289700     -0.3046000    
 H   -2.135500      -1.451900      -1.343800    
 H    5.282900      0.8558000      -1.455400    
 H   1.0300000E-02  -2.480400       1.228500    
 H    1.379900      -3.574900      0.9577000    
 H   0.9235000      -2.372300     -0.2909000    
 H    4.703500      -3.413100      -1.819300    
 H    4.749200      -4.699300     -0.6041000    
 H    5.820600      -3.304200     -0.4066000    
 H   -5.960000      -2.700400       2.045700    
 H   -7.409900      -1.662100       1.876700    
 H   -5.897300     -0.9744000       2.513400    
 H   -6.414900      -1.517000      -1.586900    
 H   -7.604100      -2.177400     -0.4538000    
 H   -6.073000      -3.055400     -0.7366000    


%chk=000113625-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113625

0 1
S 1.250152 2.584950 0.386754
O 2.555367 3.476868 0.042829
O 0.232025 3.101177 1.539661
O 3.508269 -0.874623 2.348902
O 4.995555 -2.745926 0.628581
N 0.205145 2.041233 -1.397142
N 1.836327 0.889479 1.111679
N 2.409849 0.065622 -1.037934
N 3.971970 -1.770237 -1.275007
N -5.066223 0.219281 -0.466413
N -6.605011 -1.398056 -0.403862
N -5.316742 -1.071454 -0.656879
C -1.058391 1.522003 -1.123280
C 2.554401 0.010881 0.335122
C -2.112950 2.430756 -0.779059
C -1.359449 0.116836 -1.211386
C 3.408324 -0.960451 0.956063
C -3.712207 0.568449 -0.697305
C -3.410324 1.958206 -0.564003
C -2.662635 -0.349442 -1.031003
C 4.114439 -1.824280 0.082369
C 3.128637 -0.827200 -1.766317
C 3.589534 -2.125450 3.137493
C 5.764334 -3.575496 -0.329108
C -6.972254 -2.800552 -0.622495
C -7.600266 -0.405593 0.041741
H 0.915846 1.297175 -1.642017
H 1.990557 0.886006 2.127818
H -1.874478 3.494752 -0.693256
H -0.546073 -0.580192 -1.447083
H -4.225363 2.637967 -0.297126
H -2.898560 -1.413240 -1.124395
H 3.021298 -0.777240 -2.853428
H 3.622000 -1.790429 4.184781
H 4.495481 -2.692961 2.875054
H 2.689790 -2.745043 2.963248
H 5.085192 -4.190233 -0.942270
H 6.402427 -4.201443 0.311667
H 6.368787 -2.935592 -0.992515
H -7.751301 -2.888002 -1.403002
H -7.354417 -3.257115 0.309504
H -6.071178 -3.340765 -0.948631
H -7.258847 0.088014 0.968797
H -8.556905 -0.922649 0.213990
H -7.725928 0.385008 -0.720234


