%chk=000163522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163522

0 1
 S    4.139000       1.381800      0.4527000    
 O   -4.777900      -1.095800       1.216500    
 O   -5.611100     -0.4432000     -0.8370000    
 O    4.827400       1.520900      -1.022600    
 O    3.705500       2.712500      0.8486000    
 O    5.031300      0.6067000       1.298800    
 C   -1.109500      0.9731000      0.2495000    
 C   -2.300800     -5.5500001E-02  0.2587000    
 C   -3.674900      0.6424000      0.1016000    
 C   -1.250000       1.951100     -0.9538000    
 C   -2.074200      -1.146300     -0.8043000    
 C   0.2627000      0.2758000      0.1228000    
 C   -3.740400       1.549800      -1.123000    
 C   -2.630300       2.590700      -1.089000    
 C  -0.8285000      -1.951400     -0.4656000    
 C   -1.152700       1.768200       1.582800    
 C   0.3755000      -1.084700     -0.2257000    
 C    1.454400       1.007700      0.3106000    
 C   -4.804200     -0.3465000      7.7799998E-02
 C    1.644900      -1.684000     -0.3223000    
 C    2.708900      0.4056000      0.1979000    
 C    2.804300     -0.9435000     -0.1125000    
 C    4.126600      -1.625900     -0.2348000    
 C    4.376600      -2.172200      -1.652600    
 C    4.303900      -2.752800      0.7995000    
 C   -5.806700      -2.084700       1.325600    
 H   -2.295700     -0.5646000       1.234600    
 H   -3.868000       1.270800      0.9808000    
 H   -1.024200       1.423100      -1.890300    
 H  -0.5056000       2.755000     -0.8838000    
 H   -1.973200     -0.7056000      -1.802800    
 H   -2.920600      -1.839800     -0.8528000    
 H   -4.709400       2.063100      -1.164200    
 H   -3.665700      0.9636000      -2.047500    
 H   -2.664300       3.188800      -2.007100    
 H   -2.801400       3.286700     -0.2594000    
 H  -0.6311000      -2.647100      -1.290500    
 H   -1.008400      -2.551400      0.4352000    
 H  -0.4231000       2.584400       1.606300    
 H   -2.125500       2.232300       1.765000    
 H  -0.9383000       1.112400       2.435300    
 H    1.387500       2.068100      0.5351000    
 H    1.705000      -2.741700     -0.5706000    
 H    4.982000     -0.9738000     -0.1056000    
 H    3.668500      -2.964100      -1.919200    
 H    5.385400      -2.592600      -1.732800    
 H    4.285000      -1.375000      -2.398900    
 H    4.169000      -2.370500       1.817300    
 H    5.310500      -3.180400      0.7333000    
 H    3.589000      -3.568500      0.6478000    
 H   -6.791900      -1.608600       1.320500    
 H   -5.674800      -2.609000       2.275700    
 H   -5.722600      -2.809200      0.5099000    
 H    4.272200       1.960400      -1.708800    


%chk=000163522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163522

0 1
S 4.108884 1.492546 0.561101
O -4.932850 -1.042169 1.324053
O -5.600567 -0.662874 -0.872892
O 4.787420 1.604736 -1.174668
O 3.550542 2.946841 1.001524
O 5.241679 0.788387 1.482074
C -1.148269 0.961369 0.231358
C -2.322836 -0.084745 0.202236
C -3.714763 0.635167 0.101588
C -1.289930 1.967493 -0.965425
C -2.114181 -1.140469 -0.908675
C 0.216656 0.246833 0.081139
C -3.809945 1.592428 -1.106450
C -2.677747 2.641476 -1.049650
C -0.865075 -1.982423 -0.593287
C -1.178839 1.722774 1.590225
C 0.354624 -1.115907 -0.316110
C 1.403877 0.983763 0.304868
C -4.839984 -0.392629 0.084490
C 1.643103 -1.685875 -0.458052
C 2.652938 0.365135 0.158186
C 2.849335 -0.978524 -0.231686
C 4.211801 -1.662104 -0.382390
C 4.319273 -2.464581 -1.703367
C 4.499587 -2.558898 0.853147
C -5.995025 -2.072171 1.431793
H -2.317267 -0.625789 1.171563
H -3.851008 1.217342 1.034560
H -1.095442 1.427413 -1.913326
H -0.496978 2.735543 -0.880586
H -2.003062 -0.656866 -1.897101
H -2.996735 -1.802960 -0.978093
H -4.797923 2.088720 -1.110365
H -3.752221 1.014607 -2.047750
H -2.715874 3.284024 -1.949963
H -2.831152 3.311972 -0.180582
H -0.643688 -2.681425 -1.421951
H -1.071211 -2.612858 0.297150
H -0.422439 2.525888 1.629366
H -2.157850 2.198618 1.768066
H -0.981812 1.030285 2.428559
H 1.371450 2.036994 0.601124
H 1.711422 -2.734510 -0.771717
H 4.994900 -0.884415 -0.411710
H 3.621959 -3.322461 -1.729048
H 5.342242 -2.869660 -1.807249
H 4.112859 -1.823138 -2.578366
H 4.516979 -1.957648 1.778455
H 5.486056 -3.045490 0.743888
H 3.735364 -3.351521 0.960288
H -6.986757 -1.611971 1.285905
H -5.891700 -2.477273 2.448110
H -5.848716 -2.857767 0.671309
H 5.628996 2.145363 -1.122969


