%chk=000064984.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064984

0 1
 S   0.2503000      0.3273000      -1.231700    
 O  -2.9100001E-02   1.754700      -1.185900    
 O   0.3917000     -0.3458000      -2.513300    
 O   -1.507900       2.201000       1.218200    
 O   -2.725300       2.161900     -0.6081000    
 N   -2.092300       1.576500      0.3018000    
 C   -1.015200     -0.5259000     -0.3708000    
 C    1.765400      0.1224000     -0.3383000    
 C   -2.034900      0.1552000      0.2941000    
 C  -0.9864000      -1.920400     -0.3614000    
 C    2.602300     -0.9566000     -0.6228000    
 C    2.121300       1.039200      0.6509000    
 C   -3.025700     -0.5584000      0.9683000    
 C   -1.977400      -2.633900      0.3127000    
 C   -2.997000      -1.952900      0.9775000    
 C    3.795100      -1.119100      8.2000002E-02
 C    3.314100      0.8769000       1.355600    
 C    4.151000     -0.2022000       1.071100    
 H  -0.2017000      -2.471200     -0.8725000    
 H    2.342500      -1.684700      -1.385800    
 H    1.482700       1.883000      0.8953000    
 H   -3.827200     -4.1999999E-02   1.491200    
 H   -1.955200      -3.719700      0.3201000    
 H   -3.768600      -2.508600       1.502400    
 H    4.446200      -1.960000     -0.1385000    
 H    3.590500       1.589500       2.127100    
 H    5.079200     -0.3291000       1.620400    


%chk=000064984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064984

0 1
S 0.378746 0.058027 -1.366407
O -0.024483 1.547812 -1.881488
O 0.701810 -1.126515 -2.454633
O -0.394456 1.655681 1.009527
O -2.513200 1.865186 1.826894
N -1.599531 1.231143 1.177579
C -1.131539 -0.724183 -0.371618
C 1.918057 0.151417 -0.260406
C -1.937123 -0.091962 0.599654
C -1.477601 -1.994423 -0.857256
C 2.623069 -1.042897 -0.043096
C 2.342612 1.413994 0.177844
C -3.095784 -0.734489 1.093334
C -2.623985 -2.650521 -0.350072
C -3.433776 -2.017902 0.620018
C 3.823458 -0.962746 0.700899
C 3.553411 1.472003 0.905593
C 4.283521 0.289592 1.172654
H -0.856058 -2.433731 -1.647203
H 2.270161 -1.990114 -0.462747
H 1.756159 2.308025 -0.050634
H -3.701387 -0.213467 1.840199
H -2.886395 -3.644687 -0.725568
H -4.326408 -2.520185 1.005550
H 4.401065 -1.872308 0.895413
H 3.919807 2.439072 1.264587
H 5.218250 0.345277 1.740982


