%chk=000105074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105074

0 1
 S   -6.253600      0.4313000      0.1770000    
 O   -5.230200     -0.8332000      2.9500000E-02
 O    6.654200      6.6799998E-02 -0.7967000    
 O   -7.712400     -0.2146000     -0.1638000    
 O   -6.264400      0.8217000       1.574600    
 O   -5.947300       1.408900     -0.8506000    
 C    3.486500     -0.1769000     -1.9700000E-02
 C    2.540600      0.9801000      0.3588000    
 C    1.131200      0.8254000     -0.2213000    
 C   0.5134000     -0.5182000      0.2643000    
 C  -0.9299000     -0.7435000     -0.3414000    
 C    2.904900      -1.463300      0.5824000    
 C    4.781200      0.3259000      0.6564000    
 C    1.475100      -1.724200      7.8000002E-02
 C    3.345800       2.227300      1.0700000E-02
 C    4.789900       1.844500      0.3813000    
 C   0.2373000       2.001000      0.2008000    
 C   -1.761800      0.5444000     -0.2623000    
 C    3.685500     -0.3486000      -1.547900    
 C   -1.637300      -1.858900      0.4848000    
 C   -1.221700       1.748600     -6.2000002E-03
 C  -0.8562000      -1.174500      -1.826100    
 C   -3.252000      0.4174000     -0.4792000    
 C   -3.131300      -2.003800      0.1983000    
 C    6.029600     -0.3483000      0.1783000    
 C   -3.861300     -0.6782000      0.3898000    
 C    6.484200      -1.557200      0.9504000    
 H    2.428800      0.9861000       1.456500    
 H    1.187700      0.8285000      -1.315700    
 H   0.3890000     -0.4133000       1.354700    
 H    2.885500      -1.395900       1.677700    
 H    3.531200      -2.327100      0.3342000    
 H    4.720200      0.1902000       1.745100    
 H    1.530300      -2.013100     -0.9754000    
 H    1.082300      -2.595800      0.6137000    
 H    3.010200       3.105400      0.5715000    
 H    3.273100       2.467300      -1.055900    
 H    5.471700       2.151400     -0.4186000    
 H    5.104300       2.381000       1.284500    
 H   0.5245000       2.891800     -0.3710000    
 H   0.3899000       2.242200       1.260200    
 H    4.316900      -1.218800      -1.761400    
 H    2.744900     -0.5081000      -2.081500    
 H    4.163500      0.5217000      -2.008700    
 H   -1.519700      -1.651700       1.557200    
 H   -1.159100      -2.829000      0.3042000    
 H   -1.863100       2.624300      5.8699999E-02
 H  -0.4072000      -2.166700      -1.937800    
 H   -1.846100      -1.235500      -2.290900    
 H  -0.2698000     -0.4705000      -2.425500    
 H   -3.709300       1.382300     -0.2421000    
 H   -3.461600      0.2312000      -1.539500    
 H   -3.296200      -2.382800     -0.8178000    
 H   -3.566000      -2.759800      0.8638000    
 H   -3.808700     -0.3937000       1.448600    
 H    6.596900      -1.301700       2.007000    
 H    5.768600      -2.372100      0.8325000    
 H    7.455500      -1.887000      0.5703000    
 H   -7.746400     -0.7737000     -0.9751000    


%chk=000105074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105074

0 1
S -6.508537 0.454522 0.250823
O -5.291637 -0.897825 -0.151650
O 6.815650 -0.051271 -0.668986
O -7.886104 -0.731710 0.198591
O -6.227753 0.981283 1.742918
O -6.741597 1.496199 -0.940150
C 3.517160 -0.194542 -0.018996
C 2.570931 0.998785 0.332985
C 1.156189 0.879176 -0.267311
C 0.503731 -0.465926 0.186836
C -0.926769 -0.678872 -0.443133
C 2.873902 -1.481124 0.551424
C 4.832398 0.303997 0.716079
C 1.446759 -1.685757 -0.025558
C 3.415910 2.256017 0.020414
C 4.872220 1.840573 0.418574
C 0.274336 2.069468 0.179401
C -1.752914 0.619087 -0.332894
C 3.777330 -0.332703 -1.542999
C -1.661873 -1.794662 0.377220
C -1.201826 1.826866 -0.037227
C -0.839047 -1.099909 -1.943140
C -3.253259 0.501541 -0.592747
C -3.165030 -1.957795 0.040544
C 6.105673 -0.436320 0.301113
C -3.882849 -0.615060 0.259317
C 6.487515 -1.668627 1.113947
H 2.440223 0.961783 1.440850
H 1.224251 0.897873 -1.374577
H 0.345570 -0.365096 1.286303
H 2.818198 -1.401543 1.657928
H 3.484700 -2.376016 0.317562
H 4.671864 0.127599 1.799875
H 1.533681 -1.911282 -1.104340
H 1.003771 -2.584226 0.445167
H 3.071023 3.144064 0.578964
H 3.356298 2.505612 -1.056202
H 5.591057 2.036832 -0.395536
H 5.223942 2.393720 1.307738
H 0.580217 2.989611 -0.357386
H 0.457767 2.281451 1.256849
H 4.363466 -1.245525 -1.756146
H 2.836363 -0.400870 -2.114808
H 4.356154 0.517709 -1.940568
H -1.560416 -1.563485 1.457450
H -1.165337 -2.768485 0.207323
H -1.862694 2.702499 0.047735
H -0.442513 -2.125488 -2.052722
H -1.828716 -1.077121 -2.431519
H -0.183812 -0.413187 -2.507486
H -3.739387 1.472569 -0.381279
H -3.456504 0.264149 -1.656312
H -3.301563 -2.272157 -1.010503
H -3.616140 -2.736357 0.681972
H -3.873275 -0.342487 1.334151
H 6.819474 -1.355176 2.123524
H 5.618585 -2.336280 1.258712
H 7.307855 -2.215056 0.622871
H -7.462812 -1.634045 0.312716


