%chk=000104312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104312

0 1
 S    6.101600      -3.245300      9.9999997E-05
 S   -6.101600      -3.245200     -9.9999997E-05
 O    5.024600      -4.475400      1.9999999E-04
 O   -5.024500      -4.475400     -1.9999999E-04
 O    6.818700      -3.309200      -1.265000    
 O    6.822100      -3.276200       1.263500    
 O   -6.818700      -3.309200       1.265100    
 O   -6.822200      -3.276100      -1.263300    
 N    1.367600       4.119600      3.0000001E-04
 N   -1.367500       4.119500       0.000000    
 C    1.392300       1.718900      9.9999997E-05
 C   -1.392300       1.718900     -9.9999997E-05
 C   0.6967000       2.949000      1.9999999E-04
 C  -0.6966000       2.949000       0.000000    
 C    2.793800       1.739600      9.9999997E-05
 C   -2.793800       1.739500     -3.0000001E-04
 C   0.6938000      0.5080000     -9.9999997E-05
 C  -0.6938000      0.5079000     -9.9999997E-05
 C    3.597600      0.5282000      1.9999999E-04
 C   -3.597600      0.5282000     -3.0000001E-04
 C    3.474900       2.946500      1.9999999E-04
 C   -3.474900       2.946600     -5.0000002E-04
 C    2.720200       4.099500      3.9999999E-04
 C   -2.720200       4.099500     -3.9999999E-04
 C    3.979200     -4.7100000E-02   1.208100    
 C   -3.979300     -4.7100000E-02  -1.208100    
 C    3.979400     -4.6999998E-02  -1.207900    
 C   -3.979400     -4.6999998E-02   1.207900    
 C    5.136200      -1.790500       0.000000    
 C   -5.136300      -1.790600     -9.9999997E-05
 C    4.750500      -1.209300       1.208100    
 C   -4.750600      -1.209200      -1.208100    
 C    4.750700      -1.209300      -1.208000    
 C   -4.750700      -1.209200       1.207900    
 H    1.193500     -0.4568000     -1.9999999E-04
 H   -1.193500     -0.4568000     -1.9999999E-04
 H    4.558600       3.003300      1.9999999E-04
 H   -4.558500       3.003400     -6.0000003E-04
 H    3.194100       5.075500      5.0000002E-04
 H   -3.194000       5.075600     -3.9999999E-04
 H    3.684600      0.3927000       2.157800    
 H   -3.684600      0.3926000      -2.157900    
 H    3.685000      0.3929000      -2.157600    
 H   -3.685000      0.3931000       2.157500    
 H    5.031900      -1.648000       2.161200    
 H   -5.032000      -1.648000      -2.161100    
 H    5.033300      -1.648400      -2.160600    
 H   -5.033300      -1.648300       2.160500    
 H    4.429200      -4.516000     -0.7848000    
 H   -4.429100      -4.515900      0.7848000    


%chk=000104312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104312

0 1
S 6.538615 -3.195993 -0.026217
S -6.538682 -3.195777 0.026111
O 5.413344 -4.321941 -0.985813
O -5.413372 -4.321813 0.985561
O 7.871854 -2.929502 -0.902573
O 6.642827 -3.741750 1.492977
O -7.871871 -2.929295 0.902537
O -6.642977 -3.741461 -1.493108
N 1.363123 4.192680 -0.199333
N -1.362993 4.192748 0.199426
C 1.441885 1.714862 -0.109460
C -1.441875 1.714938 0.109522
C 0.730736 2.973445 -0.079422
C -0.730662 2.973483 0.079517
C 2.880108 1.750862 -0.233012
C -2.880094 1.751006 0.233047
C 0.689091 0.483887 -0.050067
C -0.689155 0.483923 0.050079
C 3.730743 0.523669 -0.196054
C -3.730767 0.523839 0.196058
C 3.495990 3.007159 -0.376486
C -3.495925 3.007330 0.376501
C 2.703285 4.187886 -0.358846
C -2.703160 4.188019 0.358896
C 3.628891 -0.409274 0.873193
C -3.628856 -0.409123 -0.873165
C 4.707176 0.310090 -1.207405
C -4.707252 0.310285 1.207363
C 5.404682 -1.708809 -0.101322
C -5.404727 -1.708614 0.101262
C 4.469632 -1.539756 0.931494
C -4.469611 -1.539594 -0.931499
C 5.554148 -0.817390 -1.174280
C -5.554243 -0.817179 1.174200
H 1.222077 -0.469794 -0.106650
H -1.222203 -0.469728 0.106600
H 4.584446 3.085458 -0.462822
H -4.584380 3.085677 0.462808
H 3.177998 5.170421 -0.464246
H -3.177827 5.170576 0.464294
H 2.910166 -0.233854 1.679904
H -2.910060 -0.233737 -1.679821
H 4.788156 1.019565 -2.037416
H -4.788264 1.019773 2.037361
H 4.416487 -2.253202 1.759605
H -4.416420 -2.253054 -1.759594
H 6.309221 -0.992430 -1.946785
H -6.309363 -0.992204 1.946662
H 5.865571 -5.212651 -1.059305
H -5.865411 -5.212654 1.058623


