%chk=000100602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100602

0 1
 S  -0.7520000      0.1336000      0.7053000    
 S   0.7549000      0.1334000     -0.6916000    
 O   -5.407100      0.9462000     -3.4000000E-03
 O    5.406300      0.9456000     -8.5000005E-03
 N   -3.556400     -0.2826000     -0.6842000    
 N    3.554800     -0.2744000      0.6885000    
 C   -2.745000      0.8392000      -1.097400    
 C    2.748300      0.8442000       1.095900    
 C   -1.875900       1.390900      2.4499999E-02
 C    1.874800       1.388600     -2.6200000E-02
 C   -4.831200     -0.1246000     -0.1677000    
 C    4.831400     -0.1245000      0.1644000    
 C   -5.452000      -1.429400      0.1840000    
 C    5.451500      -1.431300     -0.1816000    
 C   -6.684900      -1.475200      0.6979000    
 C    6.682500      -1.479800     -0.6998000    
 H   -3.404500       1.633800      -1.464700    
 H   -2.136900      0.5067000      -1.945500    
 H    3.407800       1.642400       1.455600    
 H    2.143100      0.5185000       1.948900    
 H   -1.309000       2.264900     -0.3124000    
 H   -2.515100       1.724600      0.8495000    
 H    2.511900       1.719500     -0.8541000    
 H    1.310700       2.265300      0.3086000    
 H   -3.155200      -1.211400     -0.7757000    
 H    3.154200      -1.202800      0.7871000    
 H   -4.893800      -2.344500      1.9099999E-02
 H    4.893700      -2.345000     -8.8000000E-03
 H   -7.131200      -2.431100      0.9521000    
 H   -7.276200     -0.5845000      0.8783000    
 H    7.128300      -2.436900     -0.9497000    
 H    7.272800     -0.5899000     -0.8877000    


%chk=000100602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100602

0 1
S -0.661537 0.040016 0.940347
S 0.658014 0.026449 -0.917531
O -5.674998 0.913309 -0.347612
O 5.673030 0.918537 0.316459
N -3.639868 -0.228031 -0.360979
N 3.642530 -0.229563 0.373633
C -2.841349 0.952307 -0.697568
C 2.844607 0.953312 0.702704
C -1.916058 1.387658 0.449189
C 1.915048 1.378149 -0.444675
C -5.020743 -0.166306 -0.192904
C 5.020736 -0.165392 0.185441
C -5.654820 -1.472615 0.178798
C 5.654548 -1.474446 -0.176867
C -6.994075 -1.572649 0.371999
C 6.991281 -1.572076 -0.387967
H -3.558047 1.763918 -0.920415
H -2.234862 0.762199 -1.604247
H 3.561540 1.767456 0.915279
H 2.241786 0.770719 1.613290
H -1.348610 2.295491 0.186221
H -2.484304 1.567879 1.379539
H 2.480093 1.548887 -1.378756
H 1.349354 2.289078 -0.188629
H -3.142908 -1.104182 -0.185190
H 3.146240 -1.109308 0.214886
H -5.002315 -2.350262 0.289904
H 5.004006 -2.355995 -0.266431
H -7.471512 -2.519843 0.643607
H -7.625670 -0.684326 0.254074
H 7.468568 -2.521114 -0.653319
H 7.620893 -0.679757 -0.291578


