%chk=000099803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099803

0 1
 S   -5.340000       1.501500       1.128600    
 O   0.9211000       2.147500     -0.4700000    
 O    3.654400       1.984400     -0.3798000    
 O    4.880600     -0.2920000      0.6007000    
 O   -4.275700      0.9456000      -1.644300    
 N   0.1208000      -2.077400      -1.946900    
 C  -0.8544000      -2.258200     -0.8602000    
 C  -0.2513000      -3.105900      0.2884000    
 C   0.5259000      -2.397100       1.406000    
 C   -1.527000     -0.9428000     -0.4421000    
 C    1.356100      -1.228900      0.9463000    
 C   0.7260000     -6.6000000E-02  0.4565000    
 C  -0.7607000     -5.7999999E-03  0.3942000    
 C    1.507800       1.008000      3.8999999E-03
 C    2.755000      -1.289700      0.9872000    
 C   -2.755600     -0.6940000     -0.9344000    
 C   -1.306400      0.8917000       1.238700    
 C    2.899600      0.9333000      5.1100001E-02
 C    3.521400     -0.2122000      0.5430000    
 C  -0.5305000      -1.540600      -3.127800    
 C   -3.609400      0.4987000     -0.7138000    
 C   -2.699900       1.142400       1.512200    
 C   -3.732200       1.026600      0.6688000    
 C   0.6392000       2.195100      -1.865800    
 C    4.556500       1.734200      -1.454700    
 C    5.505700      0.1618000       1.799400    
 C   -5.927300     -6.0400002E-02   1.814700    
 H   -1.628800      -2.923700      -1.272100    
 H   0.4033000      -3.871400     -0.1525000    
 H   -1.062600      -3.673300      0.7655000    
 H    1.156900      -3.135700       1.917000    
 H  -0.1733000      -2.047300       2.177300    
 H   0.8963000      -1.482900      -1.667200    
 H    3.251100      -2.181700       1.362600    
 H   -3.207400      -1.405400      -1.623900    
 H  -0.6548000       1.501700       1.866700    
 H  -0.8393000     -0.4983000      -3.010900    
 H   -1.388300      -2.146200      -3.439300    
 H   0.1832000      -1.561200      -3.958400    
 H   -2.874300       1.545400       2.509800    
 H   0.5423000       3.244100      -2.158800    
 H  -0.3083000       1.690400      -2.072100    
 H    1.441000       1.741100      -2.457400    
 H    5.559900       1.541200      -1.065200    
 H    4.601800       2.636000      -2.072500    
 H    4.227000      0.9036000      -2.088900    
 H    5.179200     -0.4403000       2.653200    
 H    5.280700       1.218200       1.976400    
 H    6.587300      4.9400002E-02   1.685200    
 H   -5.312000     -0.3640000       2.666300    
 H   -5.905800     -0.8475000       1.055800    
 H   -6.958100      6.1099999E-02   2.158300    


%chk=000099803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099803

0 1
S -5.345765 1.698409 1.437860
O 0.832158 1.947056 -0.582470
O 3.725754 1.894971 -0.406227
O 4.975849 -0.463198 0.672179
O -5.248957 -0.798439 -0.367233
N 0.110662 -2.034121 -2.045494
C -0.810462 -2.429543 -0.956114
C -0.095631 -3.358057 0.072282
C 0.543379 -2.624985 1.284639
C -1.555944 -1.251511 -0.260048
C 1.380788 -1.432651 0.862089
C 0.731235 -0.268275 0.351911
C -0.770803 -0.183181 0.342880
C 1.531557 0.832439 -0.101979
C 2.788916 -1.476432 0.951837
C -2.946447 -1.316738 -0.342736
C -1.318110 0.939116 0.980963
C 2.953766 0.772728 -0.021210
C 3.568741 -0.380484 0.540447
C -0.498660 -1.306446 -3.174423
C -4.077320 -0.467281 0.054973
C -2.667586 1.315145 1.254537
C -3.888126 0.732909 0.904674
C 1.354399 2.730035 -1.719198
C 4.682169 1.645732 -1.514236
C 5.550375 0.469675 1.672495
C -6.685665 0.427866 1.836492
H -1.592504 -3.042167 -1.445107
H 0.673707 -3.921769 -0.488165
H -0.826598 -4.091795 0.461709
H 1.163834 -3.344014 1.849579
H -0.264465 -2.291290 1.963934
H 0.968488 -1.591575 -1.696941
H 3.297950 -2.353454 1.363111
H -3.343065 -2.186434 -0.889465
H -0.582999 1.645407 1.383196
H -0.916579 -0.305372 -2.917884
H -1.324295 -1.911006 -3.594250
H 0.255286 -1.174564 -3.971317
H -2.751880 2.224684 1.866449
H 0.487418 3.310177 -2.071943
H 1.708719 2.062385 -2.528327
H 2.169829 3.395756 -1.397792
H 5.356962 0.809300 -1.263640
H 5.249167 2.582333 -1.627718
H 4.132005 1.421065 -2.448483
H 5.169046 0.222684 2.681155
H 5.303223 1.516938 1.421745
H 6.638269 0.308165 1.632702
H -6.362213 -0.197686 2.681748
H -6.869316 -0.179206 0.941849
H -7.563561 1.029796 2.119764


