%chk=000078906.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078906

0 1
 S    1.381900     -0.2274000      0.5114000    
 O    1.807300      0.9388000       1.272300    
 O    1.676300      -1.563400       1.011700    
 O    4.155600      0.8488000     -0.2898000    
 N   -4.471800      0.2331000     -0.4268000    
 C    2.099500     -0.1124000      -1.112000    
 C  -0.3369000     -9.2399999E-02  0.2361000    
 C    3.611800     -0.2120000      -1.064700    
 C  -0.9481000       1.161500      0.2445000    
 C   -1.099000      -1.238200      7.7999998E-03
 C   -2.321300       1.269700      2.4800001E-02
 C   -2.472300      -1.130000     -0.2120000    
 C   -3.083300      0.1240000     -0.2034000    
 H    1.680900     -0.9171000      -1.723300    
 H    1.794800      0.8563000      -1.521300    
 H    3.929600      -1.159900     -0.6189000    
 H    4.023900     -0.1457000      -2.076400    
 H  -0.3731000       2.067700      0.4129000    
 H  -0.6425000      -2.223800     -9.3999999E-03
 H   -2.785600       2.252600      3.2000002E-02
 H   -3.055200      -2.030000     -0.3903000    
 H    5.122000      0.7404000     -0.2964000    
 H   -4.915800       1.141700     -0.4192000    
 H   -5.024900     -0.5976000     -0.5908000    


%chk=000078906-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078906

0 1
S 1.603460 0.676491 0.738282
O 1.672473 2.129149 1.485871
O 2.205076 -0.705598 1.432921
O 3.751822 -1.340599 -0.775857
N -4.210127 -0.464194 -0.550051
C 2.564241 0.832817 -0.954604
C -0.180898 0.318660 0.307893
C 2.798029 -0.560846 -1.547968
C -1.061513 1.405809 0.150551
C -0.606035 -1.020508 0.226235
C -2.410803 1.141581 -0.139566
C -1.955928 -1.280917 -0.064415
C -2.877183 -0.205163 -0.260176
H 1.931082 1.497950 -1.564711
H 3.500701 1.325936 -0.647109
H 1.829069 -1.092524 -1.679680
H 3.245410 -0.434230 -2.550927
H -0.701451 2.431515 0.285055
H 0.101446 -1.833538 0.421078
H -3.113898 1.973368 -0.262556
H -2.307443 -2.316915 -0.130188
H 3.406507 -1.369484 0.169342
H -4.875988 0.293760 -0.671253
H -4.554250 -1.417820 -0.619368


