%chk=000105208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105208

1 1
 S  -0.2241000       2.976000      0.3113000    
 O   -3.034900      -2.131900     -8.2599998E-02
 O    4.191600      -2.402300       1.022800    
 N   0.8217000      0.8088000     -0.3953000    
 C    1.800500     -0.1602000     -0.8348000    
 C  -0.4936000      0.4888000     -0.1452000    
 C    1.132100       2.072400     -0.2052000    
 C    2.521000     -0.8348000      0.3274000    
 C   -1.244500       1.583300      0.2654000    
 C   -1.078000     -0.7796000     -0.2703000    
 C    3.596500      -1.813000     -0.1259000    
 C   -2.607500       1.455300      0.5671000    
 C    2.459600       2.678200     -0.3979000    
 C   -2.437300     -0.9119000      2.9700000E-02
 C   -3.188600      0.1884000      0.4417000    
 C   -2.214500      -3.217800     -0.5081000    
 H    1.330300     -0.9091000      -1.481500    
 H    2.535100      0.3279000      -1.487200    
 H    1.796100      -1.362700      0.9598000    
 H    2.971000     -8.1100002E-02  0.9848000    
 H  -0.4610000      -1.610700     -0.5807000    
 H    3.166300      -2.613100     -0.7358000    
 H    4.376300      -1.311800     -0.7078000    
 H   -3.198900       2.306700      0.8882000    
 H    3.227000       2.142400      0.1680000    
 H    2.738200       2.667800      -1.456600    
 H    2.487300       3.721500     -6.5399997E-02
 H   -4.245000      6.7900002E-02  0.6710000    
 H    4.598100      -1.687700       1.542200    
 H   -2.851500      -4.107800     -0.5444000    
 H   -1.416800      -3.427700      0.2126000    
 H   -1.830500      -3.061200      -1.522000    


%chk=000105208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105208

1 1
S -0.319632 3.169494 0.275105
O -2.949209 -2.188382 -0.013531
O 3.718257 -2.868923 0.995323
N 0.902506 0.972083 -0.439998
C 1.965701 0.003189 -0.846488
C -0.430200 0.542017 -0.166402
C 1.130411 2.297862 -0.259920
C 2.505443 -0.808737 0.353947
C -1.257430 1.620428 0.238581
C -0.934420 -0.773537 -0.275467
C 3.443387 -1.952008 -0.107424
C -2.619172 1.420551 0.550724
C 2.433635 2.992609 -0.485511
C -2.301313 -0.971013 0.038120
C -3.131415 0.121684 0.447956
C -2.192249 -3.387802 -0.416585
H 1.522016 -0.665360 -1.606237
H 2.772747 0.565812 -1.342680
H 1.671878 -1.270558 0.913268
H 3.036810 -0.140494 1.058706
H -0.298895 -1.605972 -0.583748
H 2.937870 -2.573982 -0.867914
H 4.374369 -1.547948 -0.557384
H -3.263481 2.246483 0.863114
H 3.251295 2.519632 0.088288
H 2.716405 2.980823 -1.555544
H 2.372446 4.046341 -0.172863
H -4.178634 -0.091794 0.678050
H 4.439262 -2.516285 1.574196
H -2.921639 -4.207109 -0.371073
H -1.363216 -3.585257 0.288453
H -1.811531 -3.282847 -1.449760


