%chk=000135186.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135186

0 1
 S  -0.8971000     -0.3623000       1.168900    
 O    1.336300       2.089700     -0.8925000    
 O  -0.4011000       2.535300      0.4733000    
 O    3.072700      -1.709800     -0.6459000    
 O    2.743400     -0.4767000       1.224600    
 N   0.2724000      0.3275000      0.1512000    
 N    1.155200     -0.5301000     -0.4775000    
 C   -2.222100     -0.6241000     -3.1099999E-02
 C   -1.710000      -1.557300      -1.132000    
 C   -3.411400      -1.260000      0.6942000    
 C   -2.622900      0.7302000     -0.6230000    
 C   0.3399000       1.702400     -4.2800002E-02
 C    2.344700     -0.8647000      0.1325000    
 H   -1.201900      -2.443200     -0.7337000    
 H   -2.554600      -1.925300      -1.729100    
 H   -1.055400      -1.054300      -1.848500    
 H   -3.790300     -0.6160000       1.496800    
 H   -3.149100      -2.230700       1.131500    
 H   -4.243300      -1.433000      1.1000000E-03
 H   -1.873500       1.147100      -1.301900    
 H   -3.529500      0.6133000      -1.231100    
 H   -2.863900       1.468500      0.1504000    
 H   0.9194000     -0.8480000      -1.409400    
 H    1.356300       3.063500      -1.008800    
 H    3.923600      -1.953700     -0.2230000    


%chk=000135186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135186

0 1
S -0.907365 -0.317826 1.092821
O 1.672715 2.014613 -0.907992
O -0.244192 2.589718 0.305674
O 3.287166 -1.684436 -0.500215
O 2.793793 -0.320499 1.358551
N 0.365460 0.328004 -0.020050
N 1.346561 -0.527789 -0.496918
C -2.398601 -0.625757 -0.125594
C -1.938539 -1.520438 -1.291019
C -3.412616 -1.353882 0.786519
C -2.944553 0.725783 -0.621128
C 0.527648 1.720274 -0.148291
C 2.495084 -0.784187 0.238943
H -1.505206 -2.468804 -0.928580
H -2.804104 -1.757948 -1.939979
H -1.191608 -0.998916 -1.917547
H -3.693201 -0.734805 1.658197
H -3.015236 -2.318495 1.150339
H -4.334411 -1.558118 0.210055
H -2.189230 1.274294 -1.209289
H -3.828057 0.554037 -1.267935
H -3.241869 1.371456 0.221823
H 1.225072 -0.955865 -1.416065
H 1.755869 3.002697 -0.947592
H 4.117222 -1.864812 0.009473


