%chk=000060490.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060490

0 1
 S   0.4383000       1.257200     -0.8216000    
 O   -2.211600     -0.9953000       1.393100    
 O   -3.847900       1.374900     -0.7108000    
 N   -2.543000     -0.2243000      0.2865000    
 N   -4.218800      0.7925000       1.464200    
 C   -1.663400     -0.5218000     -0.8649000    
 C  -0.2329000     -0.2890000     -0.5683000    
 C    1.996800     -0.5993000      7.8299999E-02
 C   0.6962000      -1.182400     -9.0300001E-02
 C    1.998100      0.7496000     -0.2902000    
 C   -1.954800      -1.963000      -1.337200    
 C    3.208500      -1.168300      0.5394000    
 C    3.165800       1.533800     -0.2106000    
 C    4.368400     -0.3931000      0.6200000    
 C    4.345000      0.9434000      0.2480000    
 C   -3.544500      0.6850000      0.2644000    
 H   -1.968700      0.1323000      -1.692300    
 H   0.4738000      -2.216700      0.1415000    
 H   -1.347600      -2.216500      -2.213300    
 H   -3.009700      -2.065400      -1.616500    
 H   -1.752700      -2.707200     -0.5590000    
 H    3.242600      -2.214300      0.8342000    
 H    3.156700       2.581000     -0.4993000    
 H    5.291900     -0.8413000      0.9756000    
 H    5.252000       1.538200      0.3137000    
 H   -1.648500     -0.3754000       1.887000    
 H   -4.989200       1.442200       1.579600    
 H   -3.967200      0.2232000       2.265200    


%chk=000060490-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060490

0 1
S 0.359821 1.343311 0.032217
O -2.236745 -0.154367 1.656473
O -4.163647 0.678877 -1.269453
N -2.441459 0.246182 0.250074
N -4.589841 0.824131 1.035679
C -1.652837 -0.560899 -0.724544
C -0.182852 -0.344113 -0.449929
C 2.165225 -0.640789 -0.195125
C 0.872413 -1.225163 -0.510201
C 2.076112 0.749780 0.132790
C -2.059398 -2.051487 -0.737299
C 3.441452 -1.264914 -0.173303
C 3.208654 1.513768 0.475038
C 4.579507 -0.509865 0.168452
C 4.466072 0.870281 0.491092
C -3.789899 0.581564 -0.061072
H -1.926868 -0.109728 -1.699221
H 0.746629 -2.279770 -0.766239
H -1.492353 -2.603488 -1.507269
H -3.131406 -2.134088 -0.983923
H -1.876725 -2.515207 0.246659
H 3.532808 -2.327760 -0.423931
H 3.124416 2.577443 0.720221
H 5.564783 -0.988029 0.185323
H 5.361951 1.443313 0.753292
H -1.439910 0.384166 1.927066
H -5.543500 1.132068 0.868835
H -4.238802 0.644780 1.974699


