%chk=000082193.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082193

0 1
 S   0.3054000     -0.9714000      0.1010000    
 O   0.3939000      -2.120600     -0.7920000    
 O   0.7091000      -1.130700       1.492800    
 O    3.264300     -0.3315000      0.5905000    
 N    1.186500      0.3275000     -0.6097000    
 N   -5.301800       1.002300     -3.9000001E-02
 N    4.604000      3.6899999E-02  0.6112000    
 C   -1.340700     -0.3909000      5.9500001E-02
 C   -1.850400      0.3380000       1.134100    
 C   -2.146400     -0.6569000      -1.047600    
 C   -3.971600      0.5349000     -5.7000001E-03
 C   -3.165900      0.8008000       1.101400    
 C   -3.461800     -0.1940000      -1.080100    
 C    2.591400      0.4311000     -0.3196000    
 C    3.477100       1.307400     -0.9062000    
 C    4.707000       1.017100     -0.2907000    
 H   0.7133000       1.131100      -1.038600    
 H   -1.238000      0.5615000       2.003100    
 H   -1.768900      -1.216300      -1.898900    
 H   -3.551200       1.368900       1.944300    
 H   -4.079400     -0.4065000      -1.949200    
 H    3.263200       2.045100      -1.665700    
 H   -5.672000       1.531500      0.7393000    
 H   -5.885900      0.8103000     -0.8419000    
 H    5.670800       1.474600     -0.4584000    


%chk=000082193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082193

0 1
S 0.253314 -1.364860 -0.960747
O 0.000375 -2.170339 -2.354065
O 0.999050 -2.044104 0.315981
O 1.673106 1.365584 0.431697
N 1.384221 0.200692 -1.600250
N -4.892453 1.206149 0.856437
N 2.745443 1.903447 1.279497
C -1.318637 -0.569122 -0.404396
C -1.416152 -0.130612 0.930446
C -2.363476 -0.428677 -1.337438
C -3.707806 0.618800 0.437311
C -2.617443 0.460507 1.349001
C -3.563360 0.160851 -0.909834
C 2.263753 0.710942 -0.671844
C 3.656091 0.817832 -0.569924
C 3.884445 1.573735 0.621139
H 1.837231 -0.191025 -2.444929
H -0.575218 -0.252288 1.619630
H -2.241604 -0.791326 -2.362869
H -2.716680 0.809758 2.382742
H -4.394922 0.271797 -1.614871
H 4.399660 0.400600 -1.243885
H -5.001131 1.539595 1.810340
H -5.672275 1.327075 0.216082
H 4.836468 1.875191 1.058650


