%chk=000048200.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048200

0 1
 S    1.543500       1.167400      -1.201200    
 O   0.6531000     -0.5513000       1.985800    
 N  -0.6744000     -0.5864000      0.1019000    
 C   -1.925600     -0.7231000      0.8140000    
 C   -2.935400      -1.540900      1.7000000E-03
 C   -2.496700      0.6476000       1.192000    
 C   -3.472200     -0.7737000      -1.206800    
 C   -3.034300       1.411200     -1.8400000E-02
 C   -4.045300      0.5816000     -0.8041000    
 C    1.756800     -0.3697000     -0.1940000    
 C   0.5471000     -0.5093000      0.7599000    
 C    3.083100     -0.2599000      0.6068000    
 C    1.848100      -1.585900      -1.155700    
 C    4.346200     -4.1600000E-02 -0.2240000    
 C    1.976100      -2.954200     -0.4888000    
 C    1.501500       2.335400      0.1712000    
 C    1.328300       3.752800     -0.3404000    
 H   -1.716800      -1.271300       1.741100    
 H   -2.480100      -2.479400     -0.3370000    
 H   -3.778700      -1.811900      0.6498000    
 H   -3.315400      0.5058000       1.909200    
 H   -1.737300       1.256700       1.696600    
 H   -4.251300      -1.367800      -1.698100    
 H   -2.675300     -0.6304000      -1.945800    
 H   -2.203200       1.695000     -0.6755000    
 H   -3.504900       2.342700      0.3160000    
 H   -4.944100      0.4298000     -0.1937000    
 H   -4.357200       1.131000      -1.699300    
 H  -0.6996000     -0.4514000     -0.9039000    
 H    3.226000      -1.181700       1.186200    
 H    3.027400      0.5066000       1.386700    
 H    2.674900      -1.468800      -1.866200    
 H   0.9450000      -1.628600      -1.779700    
 H    4.330900      0.9006000     -0.7773000    
 H    5.212800     -6.0000003E-04  0.4459000    
 H    4.529200     -0.8608000     -0.9237000    
 H    2.930100      -3.061000      3.4299999E-02
 H    1.932500      -3.741400      -1.249000    
 H    1.164800      -3.135000      0.2221000    
 H    2.438600       2.321500      0.7298000    
 H   0.6771000       2.109100      0.8524000    
 H   0.3870000       3.869600     -0.8884000    
 H    2.153300       4.048400     -0.9976000    
 H    1.308800       4.454300      0.5006000    


%chk=000048200-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048200

0 1
S 1.573854 0.885701 -1.436106
O 0.618781 -1.238580 1.873099
N -0.641119 -0.592083 0.029514
C -1.950239 -0.901181 0.645595
C -2.976300 -1.267030 -0.456303
C -2.471908 0.279357 1.512924
C -3.388986 -0.043868 -1.313869
C -2.880339 1.501071 0.657225
C -3.915433 1.110416 -0.426798
C 1.844924 -0.558701 -0.163922
C 0.553821 -0.797838 0.679157
C 3.032312 -0.243315 0.778480
C 2.087073 -1.804364 -1.077653
C 4.401505 -0.095273 0.087445
C 2.356686 -3.112143 -0.299767
C 1.284359 2.360081 -0.272285
C 0.659077 3.518427 -1.063639
H -1.778915 -1.768783 1.309897
H -2.568727 -2.074628 -1.094210
H -3.879284 -1.671197 0.042847
H -3.352623 -0.079424 2.084001
H -1.695922 0.549808 2.252196
H -4.160924 -0.348384 -2.046202
H -2.525461 0.318272 -1.911301
H -1.980001 1.925263 0.165760
H -3.288859 2.297437 1.308531
H -4.854565 0.786467 0.068095
H -4.168864 1.988591 -1.051650
H -0.593141 -0.157340 -0.900035
H 3.064509 -1.046811 1.537015
H 2.797838 0.676230 1.347966
H 2.941469 -1.584307 -1.744945
H 1.201778 -1.939835 -1.728891
H 4.369786 0.675172 -0.704534
H 5.168872 0.198935 0.826478
H 4.734825 -1.042162 -0.374968
H 3.293455 -3.053166 0.282224
H 2.451674 -3.956505 -1.006485
H 1.539776 -3.340455 0.406439
H 2.256387 2.649133 0.159801
H 0.615870 2.018780 0.537277
H -0.325697 3.235851 -1.476942
H 1.306443 3.829605 -1.903086
H 0.516629 4.393778 -0.402978


