%chk=000051910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051910

0 1
 S    5.794400      -1.001500     -0.6912000    
 O   0.5966000      0.6068000      0.1142000    
 O   -1.133300       2.061500     -0.2342000    
 N   -1.496600     -0.2265000      0.1313000    
 N    8.497600      -1.444100      9.7499996E-02
 C   -5.658100     -0.6325000     -4.5600001E-02
 C   -2.884000     -0.3616000      7.2200000E-02
 C   -4.857700      -1.750200      0.1901000    
 C   -5.071600      0.6207000     -0.2224000    
 C   -3.470600      -1.614700      0.2492000    
 C   -3.684400      0.7562000     -0.1635000    
 C   -7.141100     -0.7770000     -0.1081000    
 C  -0.7287000      0.9258000     -1.7800000E-02
 C    1.520900       1.693200     -1.5500000E-02
 C    2.895100       1.218400      0.1458000    
 C    5.400600      0.3582000      0.4422000    
 C    4.023700      0.8288000      0.2769000    
 C    7.397200      -1.261300     -0.2212000    
 H   -5.303000      -2.731500      0.3313000    
 H   -5.685900       1.498600     -0.4047000    
 H   -2.858900      -2.494200      0.4341000    
 H   -3.302200       1.757100     -0.3091000    
 H   -7.580900     -4.2900000E-02 -0.7917000    
 H   -7.426800      -1.768300     -0.4762000    
 H   -7.574700     -0.6341000      0.8867000    
 H  -0.9749000      -1.082100      0.3066000    
 H    1.401500       2.148700      -1.005200    
 H    1.298300       2.446100      0.7492000    
 H    5.551300      1.7700000E-02   1.472400    
 H    6.095800       1.185200      0.2610000    


%chk=000051910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051910

0 1
S 5.792237 -0.813119 0.239543
O 0.555988 0.627809 -1.871322
O -0.653456 1.942129 -0.318688
N -1.463378 -0.115469 -1.184165
N 7.534736 -1.268792 2.564401
C -5.325422 -0.660881 0.587843
C -2.743814 -0.252332 -0.571351
C -4.776113 -1.600101 -0.322155
C -4.550407 0.486835 0.893965
C -3.504012 -1.405058 -0.895909
C -3.274799 0.703058 0.332422
C -6.682587 -0.887976 1.230347
C -0.561950 0.914198 -1.032136
C 1.682411 1.588864 -1.745968
C 2.673617 1.153329 -0.755751
C 4.488804 0.396596 1.070625
C 3.514937 0.805748 0.077825
C 6.811430 -1.070429 1.627556
H -5.349878 -2.496210 -0.587105
H -4.951737 1.234055 1.589550
H -3.103578 -2.146899 -1.598885
H -2.695744 1.594411 0.582799
H -7.218827 0.064152 1.391218
H -7.322609 -1.538018 0.608297
H -6.580139 -1.375977 2.219340
H -1.164362 -0.861459 -1.816479
H 2.123876 1.632172 -2.755346
H 1.276087 2.579703 -1.468323
H 4.033876 -0.171832 1.897097
H 5.074412 1.241994 1.465056


