%chk=000022026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022026

0 1
 S   0.2088000       2.641000     -0.2243000    
 O    4.682800      -2.130400       1.182800    
 O    5.382000      -1.559900     -0.8184000    
 N   -4.646600     -0.8125000      0.3115000    
 N    4.588100      -1.431800      0.1448000    
 C   -3.501900      2.0000001E-03  0.1849000    
 C   -1.237700       1.612500     -6.4800002E-02
 C   -4.953100      -1.868600     -0.6027000    
 C   -2.610400     -0.2064000     -0.8675000    
 C   -3.261300       1.015800       1.112400    
 C   -1.478200      0.5988000     -0.9922000    
 C   -2.129200       1.821000      0.9875000    
 C    1.514900       1.426400     -0.1142000    
 C    1.636200      0.6415000       1.029500    
 C    2.406000       1.269800      -1.172600    
 C   -6.231900      -2.567700     -0.1832000    
 C    3.550300     -0.4665000      5.7500001E-02
 C    2.655800     -0.3066000       1.115600    
 C    3.425500      0.3215000      -1.086700    
 H   -5.268300     -0.6223000       1.089900    
 H   -5.088400      -1.475700      -1.617100    
 H   -4.146300      -2.610500     -0.6235000    
 H   -2.760200     -0.9822000      -1.612100    
 H   -3.948100       1.188200       1.937100    
 H  -0.8007000      0.4221000      -1.824000    
 H   -1.957900       2.605700       1.720300    
 H   0.9543000      0.7535000       1.868700    
 H    2.323000       1.875100      -2.071800    
 H   -6.135600      -2.996600      0.8200000    
 H   -7.075900      -1.869700     -0.1687000    
 H   -6.471000      -3.377800     -0.8793000    
 H    2.723500     -0.9018000       2.022600    
 H    4.103900      0.2244000      -1.930400    


%chk=000022026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022026

0 1
S 0.230102 2.300679 -1.063561
O 4.860631 -2.179089 1.216500
O 6.230563 -0.550931 0.387424
N -4.755470 -0.820856 0.470131
N 5.056682 -1.037932 0.636299
C -3.605985 -0.129158 0.111747
C -1.243633 1.312125 -0.582493
C -5.423457 -1.814698 -0.379306
C -2.966126 -0.338743 -1.150000
C -3.033498 0.823462 1.013816
C -1.802233 0.379726 -1.486514
C -1.871275 1.532854 0.669182
C 1.631494 1.249351 -0.524302
C 1.461567 -0.003389 0.117648
C 2.939238 1.745948 -0.781439
C -6.660275 -2.388640 0.331410
C 3.878271 -0.249350 0.236968
C 2.585264 -0.756798 0.500322
C 4.066489 0.999203 -0.402075
H -5.172839 -0.622934 1.379429
H -5.727506 -1.351076 -1.341891
H -4.719635 -2.637768 -0.625691
H -3.377662 -1.054442 -1.867339
H -3.509742 1.003342 1.985611
H -1.324437 0.214892 -2.458105
H -1.447481 2.260052 1.369549
H 0.454725 -0.383614 0.314016
H 3.070100 2.713392 -1.278034
H -6.380372 -2.890351 1.276007
H -7.393737 -1.593433 0.560179
H -7.159922 -3.133318 -0.311140
H 2.481112 -1.725367 0.996470
H 5.081448 1.359162 -0.589215


