%chk=000076329.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076329

0 1
 S  -0.7134000      0.2189000      -1.598500    
 S   -1.544000       1.968800       1.343000    
 P   -1.950900      0.5039000      0.1074000    
 O   -2.089400     -0.9117000      0.9057000    
 C   0.8410000      6.3299999E-02 -0.7411000    
 C   -3.622200      0.6871000     -0.5802000    
 C    1.286000      -1.191700     -0.3246000    
 C    1.613800       1.196500     -0.4863000    
 C    2.503000      -1.313200      0.3460000    
 C    2.830900       1.075000      0.1840000    
 C    3.275600     -0.1800000      0.6002000    
 C   -2.430400      -2.116900      0.2444000    
 H   -3.852400     -0.1268000      -1.273100    
 H   -4.366100      0.6820000      0.2220000    
 H   -3.702900       1.631600      -1.126600    
 H   0.7007000      -2.087400     -0.5154000    
 H    1.287700       2.182700     -0.8078000    
 H    2.849700      -2.290300      0.6697000    
 H    3.433100       1.957100      0.3809000    
 H    4.223300     -0.2747000       1.121900    
 H   -1.853500      -2.253000     -0.6713000    
 H   -3.498700      -2.123600      1.5200000E-02
 H   -2.214900      -2.951200      0.9169000    


%chk=000076329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076329

0 1
S -0.680182 -0.140690 -1.535410
S -1.423958 1.844760 1.608494
P -2.097726 0.438819 0.265560
O -2.484616 -1.067038 1.090499
C 0.949297 -0.087761 -0.689016
C -3.641463 0.879469 -0.693610
C 1.596886 -1.300076 -0.348335
C 1.566185 1.158913 -0.425940
C 2.876468 -1.261961 0.248718
C 2.843132 1.187078 0.180322
C 3.500042 -0.019376 0.514343
C -2.820561 -2.268101 0.300833
H -3.887790 0.084989 -1.416581
H -4.466165 1.011346 0.024677
H -3.460818 1.823427 -1.229920
H 1.103501 -2.256549 -0.549065
H 1.052315 2.087981 -0.688547
H 3.380733 -2.198520 0.510574
H 3.319097 2.150664 0.391388
H 4.490565 0.007144 0.981942
H -2.043978 -2.474858 -0.459778
H -3.809317 -2.169695 -0.187821
H -2.855646 -3.083565 1.039073


