%chk=000065755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065755

0 1
 S  -5.9099998E-02 -0.6704000       2.475600    
 S   -3.922000       1.261600      0.3715000    
 S   -6.489500       2.847700     -3.0700000E-02
 O    1.402600      -1.388600      -1.878800    
 O   -2.290700      -2.060200      -2.181300    
 O   -1.657700      0.1325000      -2.327000    
 O    4.246500     -0.8964000     -0.6299000    
 N  -0.1020000      -1.443900     -6.3900001E-02
 N    2.655400     -0.6789000       1.046000    
 N    5.733300       1.250800      0.3168000    
 N    6.907600      0.7197000      0.6427000    
 N   -6.419700      0.2942000      0.1729000    
 N    7.129600       2.188400      -1.019800    
 N    7.768400       1.300000     -0.1845000    
 N   -7.753800      0.6192000     -9.9999997E-05
 C   0.3823000      -1.899600       1.226400    
 C    1.800700      -1.788600      0.6254000    
 C    1.072200      -1.535000     -0.7252000    
 C   -1.389500      -1.084500     -0.3028000    
 C   -2.256100     -0.8438000      0.7097000    
 C   -1.851100     -0.8526000       2.182100    
 C   -3.719600     -0.5206000      0.5268000    
 C   -1.782000     -0.9054000      -1.708600    
 C    3.823100     -0.3235000      0.3705000    
 C    4.515500      0.8558000       1.018200    
 C   -5.676700       1.365600      0.1734000    
 C    5.860500       2.138200     -0.6864000    
 C   -7.928300       1.918100     -0.1190000    
 H   7.7200003E-02  -2.926900       1.458100    
 H    2.347800      -2.738800      0.6414000    
 H   -2.192200      -1.784900       2.645500    
 H   -2.329800     -2.3900000E-02   2.713800    
 H    2.401600     -0.1353000       1.867700    
 H   -4.299500     -0.9026000       1.375000    
 H   -4.113500      -1.013800     -0.3684000    
 H    4.789100      0.6110000       2.050100    
 H    3.844800       1.721600       1.022400    
 H   -2.567700      -1.985000      -3.119400    
 H    5.049100       2.699000      -1.126500    
 H   -8.901700       2.365900     -0.2614000    


%chk=000065755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065755

0 1
S -0.410189 -0.237988 1.455191
S -4.977754 0.207201 -0.928448
S -6.395669 2.586560 0.548732
O 0.733315 -0.426042 -2.896580
O -1.399911 -2.523765 -3.297393
O -3.510243 -1.614584 -2.951958
O 4.369039 -0.931096 0.083772
N -0.425783 -1.500066 -1.020190
N 2.299250 0.128517 -0.086336
N 5.392058 1.417038 1.389469
N 5.426427 2.278296 2.515428
N -4.869142 0.786228 1.806916
N 7.275381 0.953796 2.482902
N 6.568008 1.982248 3.158219
N -5.310724 1.673737 2.814867
C 0.311733 -1.520478 0.262857
C 1.597768 -1.060262 -0.517306
C 0.647454 -0.911215 -1.761869
C -1.828490 -1.534671 -1.171299
C -2.660826 -1.285502 -0.093981
C -2.160877 -0.952470 1.302110
C -4.161071 -1.387815 -0.193683
C -2.353483 -1.863640 -2.528385
C 3.662840 0.113929 0.156636
C 4.270701 1.498424 0.455400
C -5.327867 1.098204 0.590538
C 6.520274 0.635862 1.402244
C -6.083652 2.641663 2.344112
H 0.341240 -2.503131 0.755663
H 2.341869 -1.866934 -0.628111
H -2.199182 -1.856594 1.939172
H -2.836371 -0.206220 1.760698
H 1.761816 0.991420 0.030647
H -4.625696 -1.517101 0.795654
H -4.504768 -2.157434 -0.897928
H 3.539149 2.191684 0.902426
H 4.609615 1.931065 -0.505655
H -1.750130 -2.661772 -4.218319
H 6.738310 -0.138243 0.675010
H -6.509319 3.427250 2.967079


