%chk=000087764.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087764

0 1
 S   -3.149900      0.3706000      0.7449000    
 S    1.848300      0.5861000       2.272800    
 S   -1.740400       3.564800      0.2082000    
 P   -1.944100       1.706700     -0.3816000    
 O  -0.5248000      0.9662000     -0.7370000    
 C    1.715400      4.5400001E-02 -0.2522000    
 C   0.4888000      0.6989000      0.1067000    
 C   -3.019100      -1.240000     -5.5500001E-02
 C    2.562400     -8.2999997E-02  0.8530000    
 C   -3.857400      -2.274900      0.6867000    
 C   -2.691500       1.656600      -2.041600    
 C   0.4342000       1.041000       1.436900    
 C    2.160200     -0.4581000      -1.498500    
 C    3.826900     -0.6944000      0.7447000    
 C   -3.759900      -3.639200      1.9700000E-02
 C    3.413800      -1.065600      -1.609100    
 C    4.237000      -1.181000     -0.4980000    
 H   -1.966900      -1.541200     -7.2999999E-02
 H   -3.363100      -1.153200      -1.090100    
 H   -3.519000      -2.366900       1.725900    
 H   -4.910600      -1.969500      0.7093000    
 H   -2.704700      0.6354000      -2.430700    
 H   -3.717200       2.035300      -2.008800    
 H   -2.110800       2.273700      -2.733900    
 H  -0.3591000       1.518300       1.991100    
 H    1.527500     -0.3757000      -2.378900    
 H    4.477800     -0.7894000       1.609300    
 H   -2.725200      -3.996500      7.0000002E-03
 H   -4.365400      -4.370900      0.5636000    
 H   -4.122400      -3.598200      -1.012400    
 H    3.743700      -1.448200      -2.570900    
 H    5.210300      -1.654600     -0.5937000    


%chk=000087764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087764

0 1
S -3.314767 0.363803 0.670699
S 1.965785 1.086905 2.295710
S -2.370891 3.864698 0.692844
P -2.253803 2.101561 -0.375885
O -0.634287 1.447955 -0.771173
C 1.188269 -0.022884 -0.027350
C 0.335726 1.135197 0.199548
C -2.785562 -1.118404 -0.420311
C 2.139605 -0.198901 1.022655
C -2.591540 -2.362811 0.464970
C -2.837513 2.157730 -2.139712
C 0.614060 1.832785 1.356296
C 1.179756 -0.930219 -1.118669
C 3.068408 -1.259313 1.010133
C -2.180441 -3.587761 -0.385394
C 2.103449 -1.991506 -1.137173
C 3.040849 -2.157152 -0.078938
H -1.839091 -0.843430 -0.915550
H -3.572711 -1.273360 -1.177245
H -1.815996 -2.150454 1.223556
H -3.527808 -2.584821 1.012226
H -2.755081 1.155688 -2.587771
H -3.885538 2.493364 -2.144920
H -2.208560 2.873008 -2.692077
H 0.122123 2.723243 1.741700
H 0.471611 -0.778608 -1.940342
H 3.794594 -1.386121 1.819561
H -1.220835 -3.406044 -0.904215
H -2.053453 -4.478459 0.255617
H -2.946083 -3.825352 -1.147509
H 2.109910 -2.694466 -1.977220
H 3.754616 -2.987369 -0.110160


