%chk=000082372.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082372

0 1
 S   -1.588600       1.985900      0.2826000    
 S    1.588600       1.985900     -0.2826000    
 S  -0.6417000      -2.227000      -2.178900    
 S   0.6417000      -2.226900       2.178900    
 O   -1.057100      -1.711500     -0.6788000    
 O    1.057100      -1.711500      0.6789000    
 O   -6.742500       1.545100     -0.1652000    
 O    6.742500       1.545000      0.1652000    
 O   1.5799999E-02  -3.690800      -1.889700    
 O  -1.5799999E-02  -3.690800       1.889700    
 O   0.4150000      -1.369100      -2.682200    
 O   -1.856900      -2.441000      -2.942700    
 O  -0.4151000      -1.369200       2.682100    
 O    1.856900      -2.441000       2.942700    
 C  -0.7088000      0.5634000     -4.4900000E-02
 C   0.7088000      0.5634000      4.4900000E-02
 C   -2.921800     -0.1307000     -0.3712000    
 C    2.921800     -0.1307000      0.3712000    
 C   -1.531100     -0.4863000     -0.3789000    
 C    1.531200     -0.4863000      0.3788000    
 C   -3.098900       1.211500     -2.1700000E-02
 C    3.098900       1.211500      2.1700000E-02
 C   -4.072300     -0.9066000     -0.6527000    
 C    4.072200     -0.9066000      0.6527000    
 C   -4.381200       1.790300      5.2099999E-02
 C    4.381100       1.790300     -5.2099999E-02
 C   -5.495900      0.9992000     -0.2317000    
 C    5.495900      0.9992000      0.2317000    
 C   -5.345500     -0.3354000     -0.5802000    
 C    5.345500     -0.3354000      0.5802000    
 C   -6.935800       2.607400      0.7666000    
 C    6.935700       2.607300     -0.7665000    
 C   -8.374800       2.595500       1.236200    
 C    8.374800       2.595600      -1.236300    
 H   -3.973900      -1.954600     -0.9244000    
 H    3.974000      -1.954700      0.9243000    
 H   -4.466200       2.844100      0.2994000    
 H    4.466200       2.844000     -0.2993000    
 H   -6.217100     -0.9468000     -0.7990000    
 H    6.217100     -0.9468000      0.7990000    
 H   -6.714800       3.561900      0.2761000    
 H   -6.300700       2.493700       1.654200    
 H    6.714600       3.561700     -0.2761000    
 H    6.300700       2.493600      -1.654100    
 H   -8.562000       3.406200       1.946100    
 H   -9.058200       2.705000      0.3876000    
 H   -8.615900       1.641700       1.717300    
 H    8.561900       3.406300      -1.946100    
 H    9.058200       2.705200     -0.3877000    
 H    8.615900       1.641800      -1.717400    
 H   0.3422000      -4.171500      -2.686300    
 H  -0.3421000      -4.171500       2.686300    


%chk=000082372-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082372

0 1
S -1.604302 1.935196 -0.588027
S 1.607865 1.935012 0.593687
S 0.617378 -0.896367 -3.237783
S -0.616618 -0.891718 3.250289
O -0.964851 -1.943193 -1.243524
O 0.968874 -1.939694 1.262355
O -6.526700 0.644230 1.014750
O 6.524804 0.638244 -1.021190
O 1.954623 -1.918831 -2.550753
O -1.950359 -1.917220 2.560531
O 0.473302 0.515750 -1.770651
O 1.318378 0.098087 -4.280241
O -0.470331 0.518094 1.779372
O -1.324047 0.107111 4.284371
C -0.402929 0.389201 -0.686927
C 0.405399 0.389859 0.696181
C -2.714599 -0.538491 -0.283649
C 2.715929 -0.539698 0.290939
C -1.375507 -0.849574 -0.761229
C 1.378082 -0.848595 0.773184
C -2.987939 0.848751 -0.138731
C 2.989537 0.847161 0.142059
C -3.731615 -1.494839 -0.015288
C 3.731844 -1.497071 0.022351
C -4.247702 1.304932 0.290524
C 4.248245 1.301736 -0.291916
C -5.246599 0.335182 0.574171
C 5.245904 0.330856 -0.576049
C -4.988792 -1.064207 0.421175
C 4.987974 -1.068033 -0.418661
C -6.886651 2.070708 1.216108
C 6.884724 2.064057 -1.227292
C -8.330790 2.093827 1.704899
C 8.327299 2.085322 -1.720761
H -3.503008 -2.557896 -0.138798
H 3.503161 -2.559736 0.148920
H -4.440520 2.374323 0.403396
H 4.441176 2.370777 -0.407892
H -5.794745 -1.767100 0.648554
H 5.793084 -1.771812 -0.646307
H -6.773409 2.609281 0.254061
H -6.196953 2.513900 1.961766
H 6.774783 2.605115 -0.266263
H 6.192821 2.505653 -1.971856
H -8.654316 3.137240 1.870660
H -9.003195 1.633645 0.961386
H -8.431056 1.542416 2.654859
H 8.650730 3.128173 -1.890201
H 9.001883 1.626733 -0.978240
H 8.424298 1.531466 -2.669639
H 2.816127 -1.406416 -2.605909
H -2.811095 -1.402547 2.607032


