%chk=000096209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096209

0 1
 S   0.2436000      -1.591200     -0.5938000    
 O    5.130400      0.1330000     -6.5800004E-02
 O   -3.275900       1.435700     -0.2668000    
 O   -5.227300      0.2937000       1.575300    
 N  -0.3669000      0.8851000     -0.2104000    
 N   -2.194500     -0.6416000     -0.5580000    
 C    1.540900     -0.4830000     -0.3447000    
 C    1.016800      0.7994000     -0.1568000    
 C    2.922900     -0.7307000     -0.3179000    
 C    3.784600      0.3467000     -9.6199997E-02
 C  -0.8726000     -0.3052000     -0.4346000    
 C    1.909700       1.870500      6.5099999E-02
 C    3.286800       1.631200      9.3000002E-02
 C   -4.623800     -0.4954000     -0.6204000    
 C   -3.296800      0.2248000     -0.4696000    
 C    5.573200      -1.144100      0.3883000    
 C   -5.558300     -0.3105000      0.5560000    
 C    6.934400     -0.9935000       1.033200    
 C   -6.927100     -0.9247000      0.4243000    
 H    3.281700      -1.738900     -0.4974000    
 H    1.531500       2.877900      0.2141000    
 H    3.967400       2.461300      0.2648000    
 H   -2.366400      -1.628600     -0.7298000    
 H   -4.471700      -1.570500     -0.7607000    
 H   -5.109600     -9.7700000E-02  -1.518100    
 H    4.898400      -1.566500       1.143400    
 H    5.642300      -1.826500     -0.4660000    
 H    7.310400      -1.958500       1.384600    
 H    7.653300     -0.5725000      0.3224000    
 H    6.885100     -0.3030000       1.881700    
 H   -7.440900     -0.4930000     -0.4381000    
 H   -7.513000     -0.7170000       1.324000    
 H   -6.833000      -2.006900      0.3051000    


%chk=000096209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096209

0 1
S -0.027366 -1.496611 0.413724
O 5.092356 0.138962 0.287633
O -3.252319 1.856323 -0.871920
O -4.356071 -2.079237 0.373668
N -0.393461 0.970895 -0.669624
N -2.440892 -0.312164 -0.374444
C 1.404063 -0.424592 0.119395
C 0.988298 0.824288 -0.446600
C 2.755098 -0.715769 0.386816
C 3.713421 0.282525 0.076151
C -1.067996 -0.086854 -0.301696
C 1.968590 1.802274 -0.746155
C 3.319611 1.530827 -0.485626
C -4.860730 0.027211 -0.766371
C -3.435516 0.632477 -0.663366
C 5.575411 -1.131012 0.864617
C -5.214987 -1.190318 0.088921
C 7.092614 -1.014954 0.980882
C -6.645778 -1.295049 0.573517
H 3.048783 -1.675214 0.818369
H 1.652299 2.756185 -1.177049
H 4.099152 2.265630 -0.705630
H -2.805522 -1.254017 -0.125580
H -4.999446 -0.273676 -1.827595
H -5.571074 0.851192 -0.588332
H 5.105645 -1.285977 1.858123
H 5.284983 -1.971138 0.200111
H 7.512455 -1.942801 1.410064
H 7.547374 -0.850400 -0.010691
H 7.369415 -0.170184 1.634219
H -6.830682 -0.522722 1.345764
H -6.834116 -2.288434 1.007718
H -7.358012 -1.097865 -0.248814


