%chk=000076723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076723

0 1
 S   -2.024500     -0.6013000      -1.081700    
 S   0.2606000      -3.290600     -0.9302000    
 P  -0.6726000      -1.835500     -6.0999999E-03
 O   0.2981000     -0.8965000      0.8992000    
 C   -2.605400      0.6550000      7.4299999E-02
 C   -3.589200       1.597100     -0.6106000    
 C   -1.692800      -2.506400       1.345100    
 C   -4.091300       2.660900      0.3547000    
 C    1.318000     -0.1023000      0.4490000    
 C    1.602600     -5.0099999E-02 -0.9116000    
 C    2.061400      0.6456000       1.356200    
 C    2.642400      0.7587000      -1.370100    
 C    3.101200       1.454500      0.8976000    
 C    3.391600       1.510900     -0.4656000    
 H   -1.742800       1.212200      0.4530000    
 H   -3.088900      0.1626000      0.9229000    
 H   -3.111800       2.094000      -1.463900    
 H   -4.450400       1.037400     -0.9954000    
 H   -2.501400      -3.122500      0.9409000    
 H   -1.079600      -3.123400       2.008800    
 H   -2.128300      -1.700300       1.940900    
 H   -3.263100       3.265900      0.7370000    
 H   -4.795200       3.329400     -0.1509000    
 H   -4.607000       2.206000       1.206500    
 H    1.033600     -0.5871000      -1.659100    
 H    1.838300      0.6046000       2.418500    
 H    2.864400      0.8090000      -2.432200    
 H    3.684300       2.040700       1.601800    
 H    4.200000       2.142100     -0.8228000    


%chk=000076723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076723

0 1
S -2.343003 -1.022538 -1.121266
S 0.415825 -3.400400 -0.995623
P -0.728810 -2.097986 0.116338
O 0.080839 -0.768955 0.983194
C -2.825532 0.390830 0.077796
C -3.233786 1.634550 -0.732622
C -1.593316 -2.775694 1.615049
C -3.649819 2.792663 0.204696
C 1.112251 0.033811 0.426970
C 1.225627 0.302734 -0.956854
C 2.013749 0.594680 1.359329
C 2.264899 1.151457 -1.401248
C 3.038766 1.448785 0.898488
C 3.170467 1.729044 -0.482325
H -1.942142 0.598139 0.705063
H -3.654501 0.027686 0.708294
H -2.385690 1.947771 -1.369391
H -4.072108 1.384530 -1.410854
H -2.301056 -3.550998 1.284867
H -0.839622 -3.210516 2.289442
H -2.131336 -1.960496 2.122733
H -2.818477 3.082017 0.873827
H -3.937831 3.683194 -0.382279
H -4.513087 2.509755 0.835584
H 0.526087 -0.138772 -1.672997
H 1.900456 0.354306 2.420825
H 2.363259 1.358481 -2.472572
H 3.738168 1.887026 1.618956
H 3.971924 2.385496 -0.837222


