%chk=000087964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087964

0 1
 S   -2.699000      0.4448000      0.2728000    
 S    2.699200      0.4451000     -0.2728000    
 O   -2.634600       1.173900       1.527800    
 O   -2.890300       1.144500     -0.9859000    
 O    2.634600       1.174300      -1.527600    
 O    2.890300       1.144400      0.9862000    
 N   -3.878600     -0.7789000      0.4072000    
 N    3.878600     -0.7788000     -0.4073000    
 C   -4.435400      -1.231900     -0.8746000    
 C   -5.238200     -0.3589000      4.1400000E-02
 C    4.435300      -1.232100      0.8744000    
 C    5.238300     -0.3590000     -4.1400000E-02
 C   -1.247100     -0.5486000      0.1369000    
 C    1.247000     -0.5484000     -0.1371000    
 C    0.000000      0.3095000       0.000000    
 H   -4.634900      -2.293800     -0.8758000    
 H   -4.005800     -0.8194000      -1.772600    
 H   -5.357600      0.6888000     -0.1868000    
 H   -5.987500     -0.8195000      0.6678000    
 H    4.005700     -0.8197000       1.772500    
 H    4.634700      -2.294100      0.8754000    
 H    5.987500     -0.8195000     -0.6678000    
 H    5.357800      0.6886000      0.1870000    
 H   -1.365200      -1.192500     -0.7405000    
 H   -1.187500      -1.172500       1.034600    
 H    1.365300      -1.192500      0.7402000    
 H    1.187500      -1.172100      -1.035000    
 H   9.4400004E-02  0.9691000      0.8712000    
 H  -9.4400004E-02  0.9693000     -0.8712000    


%chk=000087964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087964

0 1
S -2.813210 0.357121 -0.208313
S 2.813221 0.357066 0.208359
O -2.989036 1.182188 1.187939
O -2.794607 1.156895 -1.630247
O 2.989123 1.182422 -1.187714
O 2.794550 1.156545 1.630456
N -4.135485 -1.104013 -0.287456
N 4.135486 -1.104092 0.287267
C -5.335951 -0.660202 -1.135056
C -5.444238 -0.645912 0.371441
C 5.335924 -0.660450 1.134994
C 5.444266 -0.645876 -0.371496
C -1.240957 -0.751012 -0.090322
C 1.240969 -0.751035 0.090055
C 0.000006 0.145027 -0.000023
H -5.770730 -1.477885 -1.717489
H -5.241058 0.294625 -1.667217
H -5.426091 0.318880 0.893591
H -5.958683 -1.453230 0.901024
H 5.241020 0.294276 1.667333
H 5.770677 -1.478247 1.717288
H 5.958724 -1.453097 -0.901212
H 5.426146 0.319015 -0.893465
H -1.297109 -1.362705 -1.004483
H -1.430303 -1.360368 0.807361
H 1.297107 -1.362969 1.004056
H 1.430328 -1.360155 -0.807786
H -0.065153 0.793533 0.893455
H 0.065165 0.793754 -0.893341


