%chk=000111321.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111321

0 1
 S  -7.5999998E-02  0.3456000      -1.203400    
 O    4.254100       1.465600     -0.5525000    
 O    4.574100      -1.176800      0.1031000    
 O    2.727000      -1.922300       1.185900    
 O   -3.467600       2.366000      0.6730000    
 O   -1.494100       2.340800     -0.2881000    
 N    1.054500     -0.4091000     -0.2621000    
 N   -2.513900       1.752700      0.1403000    
 C    2.481000     -0.2137000     -0.5385000    
 C    2.871500       1.249400     -0.2757000    
 C    2.609600       1.689600       1.159200    
 C    3.237900      -1.187600      0.3499000    
 C   -1.563100     -0.4094000     -0.5664000    
 C   -2.591700      0.3359000      1.7700000E-02
 C   -1.687000      -1.798300     -0.6633000    
 C   -3.734100     -0.3025000      0.5005000    
 C   -2.829400      -2.436700     -0.1807000    
 C   -3.852900      -1.688900      0.4012000    
 H    2.708600     -0.5004000      -1.573500    
 H    2.326400       1.921800     -0.9476000    
 H    1.547800       1.677600       1.419200    
 H    2.972300       2.713900       1.305000    
 H    3.158200       1.072100       1.878300    
 H   0.8609000     -0.2543000      0.7264000    
 H    4.414300       1.190400      -1.471300    
 H  -0.9080000      -2.406200      -1.118000    
 H   -4.555600      0.2402000      0.9610000    
 H   -2.923000      -3.516000     -0.2592000    
 H   -4.742300      -2.186500      0.7766000    
 H    5.056100      -1.813000      0.6735000    


%chk=000111321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111321

0 1
S -0.300390 1.175809 0.637663
O 4.076091 1.053441 -1.182485
O 3.495692 -1.895469 -0.824342
O 3.319674 -1.566434 1.471598
O -4.490244 2.117913 -0.553141
O -2.365065 2.623760 0.114778
N 1.044006 0.019297 0.923359
N -3.302076 1.769424 -0.193680
C 2.119307 -0.061121 -0.078603
C 2.977599 1.258060 -0.228067
C 3.624630 1.741473 1.070896
C 3.019010 -1.230814 0.305587
C -1.639825 -0.052977 0.245441
C -2.954629 0.348288 -0.119262
C -1.365269 -1.438855 0.306016
C -3.967728 -0.597291 -0.419271
C -2.366550 -2.384215 0.012889
C -3.673000 -1.967434 -0.353418
H 1.669808 -0.284230 -1.064925
H 2.272141 2.029414 -0.609473
H 2.859437 2.006391 1.821143
H 4.222177 2.643350 0.857050
H 4.294220 0.974303 1.494972
H 1.357146 -0.038133 1.899420
H 3.734124 0.619553 -2.005899
H -0.351908 -1.737482 0.596932
H -4.958282 -0.224476 -0.693977
H -2.129200 -3.451920 0.071711
H -4.447401 -2.706490 -0.580188
H 4.142103 -2.603236 -0.552226


