%chk=000073013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073013

0 1
 S   0.5358000       2.469800      -1.732100    
 O   0.1246000      0.8858000      -1.613600    
 O  -0.6590000       3.259600      -1.939600    
 O    1.721100       2.593900      -2.552900    
 O    3.454400      -4.286400     -0.2112000    
 O   -5.348700     -0.7511000      0.7658000    
 C   0.1424000      0.3409000     -0.2503000    
 C   0.7700000       1.448800      0.5995000    
 C    1.007900       2.642400     -7.8800000E-02
 C    1.033800     -0.9112000     -0.2364000    
 C   -1.340500      4.2900000E-02  2.0099999E-02
 C    1.128600       1.381800       1.942600    
 C    1.574700       3.765200      0.4885000    
 C   0.6959000      -2.001400      0.5671000    
 C   -2.049400     -0.8070000     -0.8303000    
 C    2.182500     -0.9597000      -1.027400    
 C   -1.980800      0.6220000       1.116600    
 C    1.701600       2.502900       2.556900    
 C    1.505300      -3.137300      0.5794000    
 C   -3.395600      -1.077100     -0.5847000    
 C    1.921900       3.686000       1.834300    
 C    2.991700      -2.095800      -1.015100    
 C   -3.327000      0.3516000       1.362300    
 C    2.653000      -3.184700     -0.2116000    
 C   -4.034400     -0.4978000      0.5116000    
 C    1.127100      -4.294100       1.444200    
 C   -4.137100      -1.989800      -1.504500    
 H   0.9697000      0.4765000       2.520500    
 H  -0.1797000      -1.974600       1.209500    
 H   -1.554200      -1.258200      -1.687000    
 H    1.749100       4.670100     -8.1500001E-02
 H    2.473500     -0.1227000      -1.655200    
 H   -1.487600       1.297200       1.804700    
 H    1.981100       2.455900       3.606200    
 H    2.370500       4.542600       2.329400    
 H    3.884000      -2.118400      -1.634900    
 H   -3.813400      0.8113000       2.218600    
 H   0.9740000      -5.190600      0.8343000    
 H    1.913200      -4.490800       2.180700    
 H   0.1986000      -4.109100       1.994800    
 H   -4.510500      -2.860900     -0.9560000    
 H   -4.981700      -1.464300      -1.962200    
 H   -3.500900      -2.359500      -2.315800    
 H    4.199600      -4.137100     -0.8180000    
 H   -5.617200     -0.2643000       1.563900    


%chk=000073013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073013

0 1
S 0.981933 2.668067 -1.756316
O -0.075451 1.083964 -1.680753
O 0.067093 3.920798 -2.204564
O 2.361589 2.397269 -2.564687
O 3.523529 -4.153168 -0.440711
O -5.585163 -0.661601 0.564331
C -0.001245 0.421913 -0.329955
C 0.668595 1.423313 0.638434
C 1.234469 2.582411 0.098868
C 0.909403 -0.822140 -0.424638
C -1.462484 0.123888 0.012076
C 0.809993 1.224523 2.032494
C 1.921531 3.562875 0.830231
C 0.774835 -1.884177 0.507519
C -2.093513 -1.014684 -0.557695
C 1.949613 -0.879484 -1.379436
C -2.249361 1.030229 0.761637
C 1.488228 2.186071 2.811820
C 1.641318 -2.998732 0.510477
C -3.465193 -1.286040 -0.378659
C 2.042557 3.350344 2.221854
C 2.827508 -1.982807 -1.401865
C -3.621229 0.784368 0.963480
C 2.675762 -3.028493 -0.464437
C -4.220609 -0.364788 0.399068
C 1.492408 -4.137018 1.497306
C -4.138453 -2.495362 -0.990506
H 0.393149 0.326352 2.498914
H -0.037162 -1.860201 1.244023
H -1.499013 -1.704543 -1.166173
H 2.341824 4.450185 0.347672
H 2.072155 -0.076574 -2.112210
H -1.802427 1.935544 1.184018
H 1.589533 2.027111 3.890516
H 2.566838 4.085647 2.840352
H 3.628653 -2.022766 -2.151565
H -4.224080 1.490509 1.549199
H 1.340759 -5.099136 0.974398
H 2.407086 -4.258225 2.106389
H 0.638012 -3.967107 2.174144
H -4.601659 -3.130583 -0.213353
H -4.955955 -2.191538 -1.669734
H -3.417106 -3.104205 -1.560521
H 4.208256 -4.089929 -1.152122
H -6.038626 0.041218 1.093082


