%chk=000157202.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157202

0 1
 S  -0.2747000      -1.320100     -0.1856000    
 O  -0.6180000      -2.019100       1.042600    
 O  -0.4974000      -1.992200      -1.455900    
 O    2.948200      0.6822000     -1.0900000E-02
 O   -1.245600       2.465300     -0.1930000    
 N   -1.212100      0.1307000     -0.2150000    
 N   0.8016000       1.438400     -0.1053000    
 N    1.299900     -0.9072000     -0.1051000    
 C   -2.692300      3.7999999E-02 -0.2859000    
 C  -0.5899000       1.425100     -0.1722000    
 C   -3.311900     -1.1200000E-02   1.095400    
 C    1.640300      0.3379000     -7.5999998E-02
 C    3.751800     -0.2680000      0.6670000    
 H   -3.094700      0.8827000     -0.8559000    
 H   -2.971700     -0.8613000     -0.8464000    
 H   -2.977300     -0.8899000       1.654300    
 H   -3.045200      0.8764000       1.678300    
 H   -4.402900     -5.4800000E-02   1.020800    
 H    1.246200       2.351700     -7.4699998E-02
 H    3.978300      -1.113600      9.8999999E-03
 H    3.282700     -0.6125000       1.595300    
 H    4.696700      0.2159000      0.9316000    


%chk=000157202-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157202

0 1
S -0.334590 -1.459405 0.304471
O -0.596064 -1.802845 1.858434
O -0.780493 -2.513080 -0.821625
O 2.954331 0.777307 0.314374
O -1.247267 2.502828 0.174509
N -1.210185 0.186932 -0.143354
N 0.767411 1.374271 0.462631
N 1.422391 -0.963467 0.060653
C -2.643199 0.063551 -0.504863
C -0.633361 1.401408 0.174208
C -3.581077 0.061575 0.717720
C 1.655881 0.328347 0.274487
C 4.023829 -0.252934 0.208515
H -2.872473 0.911724 -1.174189
H -2.741949 -0.867432 -1.092696
H -3.350163 -0.777375 1.396867
H -3.490236 1.007721 1.277141
H -4.628078 -0.043554 0.380993
H 1.167921 2.289531 0.689799
H 3.977306 -0.738086 -0.779276
H 3.897907 -1.009157 1.000004
H 4.954157 0.316538 0.334498


