%chk=000161785.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161785

0 1
 S  -1.9000000E-03   2.053100      9.9999997E-05
 O  -3.0800000E-02   2.784100      -1.259000    
 O   6.8999998E-02   2.783200       1.259200    
 N   -4.829700      -1.418100      3.3700000E-02
 N    4.822100      -1.423400     -3.3799998E-02
 C   -1.419300       1.033700      9.8999999E-03
 C    1.436200       1.016500     -9.8999999E-03
 C   -3.684000     -0.5953000      2.6000001E-02
 C    3.677300     -0.5994000     -2.6000001E-02
 C   -1.977100      0.6265000       1.221800    
 C    1.971800      0.6244000      -1.221800    
 C   -1.994000      0.6264000      -1.194100    
 C    1.988700      0.6241000       1.194300    
 C   -3.109300     -0.1882000       1.229800    
 C    3.103100     -0.1914000      -1.229900    
 C   -3.126400     -0.1881000      -1.186100    
 C    3.120200     -0.1917000       1.186100    
 C   -5.054000      -2.353400       1.117800    
 C   -5.804400      -1.328800      -1.035200    
 C    5.045500      -2.358900      -1.118000    
 C    5.797000      -1.335300       1.035100    
 H   -1.543500      0.9293000       2.170800    
 H    1.535600      0.9285000      -2.168100    
 H   -1.571300      0.9218000      -2.150300    
 H    1.563400      0.9202000       2.148000    
 H   -3.525000     -0.4786000       2.190500    
 H    3.518300     -0.4824000      -2.190700    
 H   -3.541500     -0.4989000      -2.140700    
 H    3.534800     -0.5033000       2.140600    
 H   -5.465300      -1.840900       1.993800    
 H   -5.768000      -3.131900      0.8262000    
 H   -4.128700      -2.866600       1.403300    
 H   -5.462800      -1.878100      -1.918700    
 H   -6.765100      -1.759400     -0.7312000    
 H   -6.000200     -0.2872000      -1.313500    
 H    4.119700      -2.871000      -1.403600    
 H    5.758600      -3.138100     -0.8264000    
 H    5.457400      -1.846700      -1.993800    
 H    6.757300      -1.766800      0.7311000    
 H    5.454700      -1.884300       1.918600    
 H    5.993900     -0.2939000       1.313700    


%chk=000161785-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161785

0 1
S 0.000076 2.073847 0.002492
O -0.035368 2.855551 -1.441936
O 0.036978 2.852182 1.448715
N -4.989141 -1.428206 0.102454
N 4.983996 -1.436079 -0.104071
C -1.512412 0.958288 0.034222
C 1.511064 0.955580 -0.031437
C -3.841411 -0.634541 0.080239
C 3.837464 -0.640703 -0.080421
C -2.032646 0.553267 1.274650
C 2.027777 0.548073 -1.272489
C -2.129468 0.623687 -1.182471
C 2.130284 0.621927 1.184353
C -3.189675 -0.244899 1.298422
C 3.183512 -0.251952 -1.297710
C -3.287597 -0.172850 -1.160852
C 3.287209 -0.176352 1.161246
C -5.554902 -1.870407 1.383850
C -5.661329 -1.786736 -1.153411
C 5.546098 -1.881193 -1.386059
C 5.658450 -1.793761 1.150810
H -1.554545 0.883409 2.203123
H 1.548356 0.877720 -2.200449
H -1.723285 1.008390 -2.124188
H 1.726442 1.008467 2.126324
H -3.593544 -0.553896 2.265771
H 3.584689 -0.563032 -2.265508
H -3.767312 -0.426048 -2.109546
H 3.768711 -0.428903 2.109207
H -5.863168 -1.014165 2.017922
H -6.445713 -2.490026 1.196439
H -4.832082 -2.481201 1.961507
H -4.992780 -2.359668 -1.827241
H -6.537753 -2.415964 -0.933108
H -6.015269 -0.890942 -1.703458
H 4.821054 -2.491894 -1.961031
H 6.436442 -2.501806 -1.199722
H 5.854142 -1.026454 -2.022268
H 6.533411 -2.424667 0.929492
H 4.990541 -2.364650 1.827011
H 6.015005 -0.897696 1.698728


