%chk=000053118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053118

0 1
 S   -1.099200      -1.362500      -1.019400    
 S    1.798300     -0.6466000     -0.9374000    
 P   -2.764600      -1.429600      0.2542000    
 O   -3.205700      6.3800000E-02  0.7092000    
 O   -2.490900      -2.320100       1.437400    
 O    5.048200      0.6429000      0.9102000    
 O    4.694200     -5.0400000E-02  -1.258400    
 C   -3.516400       1.057000     -0.2513000    
 C   -3.891200       2.341100      0.4727000    
 C   -4.170200      -2.030600     -0.6825000    
 C   -4.252800       3.451500     -0.4973000    
 C   0.2569000     -0.7485000      1.0200000E-02
 C    2.879200     -2.5500000E-02  0.3723000    
 C    4.289000      0.1703000     -0.1257000    
 C    6.425300      0.8873000      0.6059000    
 H   -2.649000       1.226600     -0.8962000    
 H   -4.354100      0.7207000     -0.8686000    
 H   -4.732600       2.149900       1.149600    
 H   -3.058000       2.660100       1.110400    
 H   -4.323000      -1.451200      -1.596600    
 H   -4.009800      -3.074100     -0.9690000    
 H   -5.079800      -1.976900     -7.8000002E-02
 H   -5.109100       3.167500      -1.117300    
 H   -4.516700       4.362000      4.9699999E-02
 H   -3.411800       3.684100      -1.158400    
 H  -1.0400000E-02  0.2427000      0.3865000    
 H   0.3908000      -1.428400      0.8559000    
 H    2.496900      0.9378000      0.7227000    
 H    2.897400     -0.7491000       1.192600    
 H    6.511000       1.648100     -0.1759000    
 H    6.915500     -4.1200001E-02  0.2981000    
 H    6.912900       1.258100       1.511400    


%chk=000053118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053118

0 1
S -0.325056 0.873736 -1.467314
S 2.730307 1.817124 -1.207668
P -0.951463 0.611542 0.767761
O -2.601722 1.161999 0.911750
O 0.000451 1.466103 1.730636
O 4.411629 -0.849044 0.071322
O 2.173278 -1.324579 0.483239
C -3.582865 0.964036 -0.185148
C -4.838001 1.749522 0.204783
C -1.000806 -1.223056 1.053694
C -5.947560 1.604066 -0.860840
C 0.917175 2.274460 -1.132446
C 2.979594 1.014575 0.507352
C 3.099301 -0.486065 0.368298
C 4.646742 -2.294974 -0.161797
H -3.151795 1.336197 -1.136135
H -3.814561 -0.116801 -0.292983
H -5.196733 1.386263 1.185461
H -4.563170 2.812125 0.335136
H -1.675425 -1.695745 0.322165
H 0.026956 -1.598778 0.925427
H -1.364500 -1.404382 2.078051
H -6.245199 0.546740 -0.992911
H -6.847629 2.170752 -0.563979
H -5.616635 1.988533 -1.843678
H 0.766318 3.020712 -1.926252
H 0.684962 2.701183 -0.142105
H 3.906772 1.447939 0.908773
H 2.108999 1.273736 1.133494
H 4.034924 -2.646077 -1.009596
H 4.386764 -2.874270 0.740024
H 5.719250 -2.370773 -0.387515


