%chk=000006649.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006649

0 1
 S    5.037800      0.7261000     -0.3172000    
 S   -5.036000      0.7266000      0.3171000    
 O   6.9999998E-04  -2.324300     -9.9999997E-05
 O    5.098700       1.386700      -1.615400    
 O    6.119100     -0.1627000      9.1100000E-02
 O   -5.096900       1.387100       1.615300    
 O   -6.117400     -0.1619000     -9.1200002E-02
 N    4.766300       1.915300      0.8998000    
 N   -4.764300       1.916000     -0.8997000    
 N    5.913300       2.682200      0.9664000    
 N   -5.911200       2.682900     -0.9663000    
 C    3.546500     -0.1776000     -0.2230000    
 C   -3.544700     -0.1772000      0.2228000    
 C    1.163300      -1.620200     -7.2999999E-02
 C   -1.182000      -1.607800      7.4000001E-02
 C    2.456100      0.1927000      -1.010200    
 C   -2.454300      0.1929000       1.010100    
 C    3.445300      -1.269500      0.6393000    
 C   -3.443600      -1.269100     -0.6395000    
 C    1.264500     -0.5285000     -0.9351000    
 C   -1.262800     -0.5284000      0.9349000    
 C    2.253700      -1.990700      0.7143000    
 C   -2.252100      -1.990500     -0.7145000    
 H    2.512300       1.040400      -1.687300    
 H   -2.510400       1.040600       1.687400    
 H    4.278900      -1.571600       1.266900    
 H   -4.277200      -1.571100      -1.267100    
 H   0.4391000     -0.2306000      -1.576200    
 H  -0.4359000     -0.2340000       1.574500    
 H    2.179800      -2.839200       1.389200    
 H   -2.173900      -2.839000      -1.387400    
 H    3.944000       2.520700      0.7746000    
 H   -3.941900       2.521200     -0.7744000    
 H    5.795700       3.300600       1.767900    
 H    5.911500       3.285800      0.1445000    
 H   -5.793600       3.301300      -1.767800    
 H   -5.909300       3.286500     -0.1443000    


%chk=000006649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006649

0 1
S 5.468153 0.958501 -0.427044
S -5.466940 0.959121 0.427610
O 0.000373 -1.628840 -0.000791
O 5.441052 1.890583 -1.788989
O 6.533115 -0.315913 -0.289617
O -5.439496 1.890510 1.790022
O -6.532112 -0.315065 0.289694
N 6.387741 2.087800 1.433698
N -6.386561 2.089432 -1.432496
N 7.385965 1.231715 1.734008
N -7.384966 1.233654 -1.733098
C 3.760219 0.183136 -0.278458
C -3.759162 0.183593 0.278375
C 1.233810 -0.940973 -0.074899
C -1.232961 -0.940798 0.073882
C 2.676267 0.856067 -0.869333
C -2.675024 0.856036 0.869463
C 3.624113 -1.043872 0.395048
C -3.623331 -1.043075 -0.395812
C 1.391009 0.282996 -0.769732
C -1.389863 0.282822 0.769390
C 2.338870 -1.613533 0.495541
C -2.338195 -1.612887 -0.496783
H 2.842412 1.783807 -1.426316
H -2.840952 1.783505 1.426963
H 4.506250 -1.552386 0.795930
H -4.505608 -1.551230 -0.796843
H 0.533002 0.770775 -1.241308
H -0.531721 0.770222 1.241110
H 2.176671 -2.570842 0.998523
H -2.176205 -2.569949 -1.000297
H 6.750872 2.808756 0.765018
H -6.749477 2.810164 -0.763458
H 7.141554 0.511189 2.416210
H 8.139488 0.985744 1.075574
H -7.140768 0.513396 -2.415660
H -8.138493 0.987539 -1.074724


