%chk=000111945.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111945

0 1
 S   -3.167300      -2.656900     -0.9090000    
 S    6.327300      0.7328000     -0.5710000    
 O   -3.819200      -3.535500      0.3045000    
 O   -4.095800      -2.717600      -2.026700    
 O   -1.781000      -3.062900      -1.069300    
 O    6.389300       2.326800     -0.2133000    
 O    7.072400      3.5399999E-02  0.4670000    
 O    6.679700      0.5705000      -1.973000    
 C   -1.343300      -1.592000       1.337400    
 C   -2.298400     -0.6068000      0.6942000    
 C   9.3999997E-02  -1.216200       1.204400    
 C   -3.146500      -1.009500     -0.3181000    
 C   -2.288500      0.6989000       1.155900    
 C   -3.156000       1.647800      0.5910000    
 C    1.938300     -0.4145000     -0.1645000    
 C   -4.032300       1.252500     -0.4478000    
 C   0.5876000     -0.7721000     -2.2700001E-02
 C    2.800400     -0.5087000      0.9539000    
 C   -4.015100     -8.0100000E-02 -0.8909000    
 C   0.9417000      -1.308700       2.304200    
 C    2.286300     -0.9576000       2.181300    
 C    4.151000     -0.1511000      0.8120000    
 C    2.452400      3.4299999E-02  -1.392000    
 C    4.644700      0.2929000     -0.4150000    
 C   -3.173300       2.980400       1.034100    
 C   -4.899900       2.201400      -1.012700    
 C    3.797000      0.3855000      -1.514900    
 C   -4.041900       3.909900      0.4613000    
 C   -4.903500       3.521100     -0.5601000    
 H   -1.468400      -2.644100       1.090600    
 H   -1.609600      -1.573300       2.406300    
 H   -1.618100      0.9945000       1.960600    
 H  -6.7599997E-02 -0.7099000     -0.8892000    
 H   -4.694700     -0.3727000      -1.688100    
 H   0.5720000      -1.655000       3.265700    
 H    2.930700      -1.038400       3.054300    
 H    4.811500     -0.2164000       1.674400    
 H    1.807500      0.1164000      -2.264600    
 H   -2.508300       3.306700       1.831100    
 H   -5.582200       1.920500      -1.812300    
 H    4.156900      0.7360000      -2.478100    
 H   -4.045200       4.937400      0.8131000    
 H   -5.579500       4.245200      -1.005500    
 H   -4.741100      -3.291500      0.5553000    
 H    6.105000       2.566500      0.7001000    


%chk=000111945-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111945

0 1
S -3.071854 -2.298582 -1.494952
S 6.563846 0.570868 -0.399691
O -3.764685 -3.453951 -0.212595
O -4.097771 -2.196102 -2.739908
O -1.542728 -2.752839 -1.784653
O 6.199986 2.280893 -1.038829
O 7.207961 0.697665 1.079443
O 7.339497 -0.242633 -1.564555
C -1.403917 -1.591061 1.272749
C -2.379662 -0.550521 0.712315
C 0.057441 -1.148962 1.177151
C -3.187771 -0.731421 -0.454634
C -2.539608 0.683219 1.360695
C -3.443420 1.694398 0.904044
C 2.123665 -0.830502 -0.130486
C -4.242021 1.448674 -0.279260
C 0.763757 -1.262909 -0.027239
C 2.779614 -0.272959 1.037393
C -4.094064 0.197920 -0.952190
C 0.719898 -0.604275 2.328858
C 2.046457 -0.176502 2.264055
C 4.140677 0.161836 0.935586
C 2.855878 -0.946455 -1.360749
C 4.780190 0.023002 -0.286884
C -3.586228 2.949221 1.583581
C -5.153478 2.454248 -0.741614
C 4.181160 -0.521858 -1.455115
C -4.480068 3.912970 1.112292
C -5.269796 3.664966 -0.057414
H -1.535418 -2.557950 0.761722
H -1.664510 -1.758176 2.334296
H -1.944396 0.880766 2.260442
H 0.267740 -1.698548 -0.903073
H -4.681689 -0.027438 -1.849222
H 0.172998 -0.540579 3.277626
H 2.543235 0.230715 3.151958
H 4.666535 0.578869 1.801441
H 2.356323 -1.375561 -2.236043
H -2.982412 3.143386 2.477438
H -5.753996 2.259606 -1.637341
H 4.757293 -0.613430 -2.380163
H -4.582335 4.869221 1.636244
H -5.965043 4.433068 -0.411691
H -3.767083 -4.373877 -0.608988
H 7.078802 2.713478 -1.248139


