%chk=000133168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133168

0 1
 S    2.673400      0.1640000     -5.7599999E-02
 O    3.332500     -0.7848000      0.8248000    
 O    2.773800      2.2800000E-02  -1.500700    
 O   -2.090500      0.1324000      -1.423500    
 N   -1.872100      -2.330500      0.1123000    
 N   -2.633700      0.9086000      0.6974000    
 N   -3.355700       1.978800      0.2101000    
 C   0.2289000      -1.079600      9.2100002E-02
 C   0.9647000      0.2269000      0.3749000    
 C   -1.250300      -1.064200      0.5047000    
 C   -2.036200      3.8199998E-02 -0.1984000    
 C    3.265300       1.787400      0.3639000    
 H   0.7386000      -1.902300      0.6107000    
 H   0.3152000      -1.298600     -0.9811000    
 H   0.9089000      0.4690000       1.441200    
 H   0.5252000       1.052000     -0.1944000    
 H   -1.320300     -0.9604000       1.592900    
 H    4.329800       1.834000      0.1251000    
 H    2.716900       2.525700     -0.2237000    
 H    3.113600       1.951000       1.432300    
 H   -1.826200      -2.447300     -0.8992000    
 H   -2.860200      -2.324300      0.3620000    
 H   -2.560100      0.8024000       1.704100    
 H   -4.284700       1.922500      0.6255000    
 H   -2.927900       2.821800      0.5909000    


%chk=000133168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133168

0 1
S 2.831410 0.060672 0.209997
O 3.665710 -0.493020 1.504608
O 2.932979 -0.688245 -1.241602
O -1.771973 0.824737 -1.088674
N -1.918342 -2.207662 -0.220751
N -2.857167 0.806843 0.969165
N -3.660940 1.953065 0.718041
C 0.214016 -1.040718 0.114829
C 0.943355 0.149645 0.731120
C -1.296021 -1.056118 0.461138
C -1.967774 0.278202 0.040799
C 3.337909 1.890577 -0.065778
H 0.643232 -1.997186 0.459622
H 0.326987 -0.998849 -0.984452
H 1.007331 0.144869 1.831138
H 0.582672 1.114741 0.338390
H -1.418462 -1.204529 1.553311
H 4.407823 1.846924 -0.312381
H 2.736823 2.270916 -0.903212
H 3.157756 2.425715 0.877189
H -1.831841 -2.163866 -1.242323
H -2.873179 -2.424525 0.081475
H -3.013232 0.356204 1.872753
H -4.239021 1.807577 -0.122145
H -3.071152 2.789531 0.604042


