%chk=000159471.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159471

0 1
 S   -2.329200     -0.6481000       2.268600    
 S    5.429400      0.6261000      0.6146000    
 O   -1.350800      0.8508000      0.2651000    
 O   -2.832900     -0.7668000      -1.769400    
 O   -5.179000      0.1664000      0.7502000    
 O   -4.322800       2.867600     -0.5526000    
 O   -1.487700       3.440400       1.239400    
 O    2.384000      0.6209000      -2.293900    
 O    4.330100       1.109200     -0.4937000    
 O    6.832800       1.172900     -9.4999997E-03
 O    5.186000       1.349300       1.848800    
 O    5.481100     -0.8241000      0.6052000    
 N    3.009500      0.8598000     -8.3899997E-02
 C   -1.918500     -0.4587000      0.4527000    
 C   -3.214000     -0.6680000     -0.3873000    
 C   -4.232400      0.4780000     -0.2730000    
 C   -3.573000       1.820100      5.7799999E-02
 C   -2.122400       1.838900     -0.4152000    
 C  -0.8286000      -1.502000      0.1390000    
 C   -1.451800       3.184600     -0.1523000    
 C   0.4117000      -1.087900     -0.3439000    
 C   -1.084500      -2.857700      0.3390000    
 C   0.7103000      0.3585000     -0.5666000    
 C    1.398700      -2.031900     -0.6277000    
 C  -9.7400002E-02  -3.801600      5.5199999E-02
 C   -2.404700      -3.325900      0.8573000    
 C    1.144100      -3.388700     -0.4281000    
 C    2.111800      0.6179000      -1.095900    
 H   -3.740400      -1.597300     -0.1785000    
 H   -4.807500      0.5581000      -1.203800    
 H   -3.625700       2.001700       1.136600    
 H   -2.072100       1.659900      -1.496200    
 H  -0.4021000       3.162200     -0.4620000    
 H   -1.958000       3.998800     -0.6796000    
 H   -3.318500      0.2521000       2.320700    
 H   -3.631500     -0.9810000      -2.281300    
 H   -5.815200      0.9008000      0.7922000    
 H   -4.244400       2.768200      -1.516800    
 H   0.6890000      0.9212000      0.3746000    
 H   8.0399998E-02  0.7692000      -1.362900    
 H    2.381900      -1.773600      -1.006000    
 H  -0.2836000      -4.861900      0.2048000    
 H   -2.935500      -3.811600      2.7700000E-02
 H   -2.214800      -4.112500       1.601100    
 H   -3.130700      -2.690800       1.338900    
 H    1.912000      -4.124400     -0.6493000    
 H   -1.051300       4.297000       1.385200    
 H    2.826700      0.7974000      0.9117000    
 H    6.974200      0.9768000     -0.9654000    


%chk=000159471-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159471

0 1
S -1.045826 0.342937 1.857179
S 5.086297 -0.575320 1.471084
O -1.636695 0.823873 -0.939783
O -3.695248 -1.084223 -1.065493
O -4.199691 0.406558 2.156022
O -4.715483 2.812529 0.102432
O -1.269082 3.557685 -0.292141
O 3.415210 1.492857 -0.484051
O 3.429228 0.698853 2.144268
O 5.819864 0.772772 0.534591
O 6.214377 -1.104372 2.489130
O 4.309035 -1.597170 0.472803
N 2.371133 0.481154 1.333021
C -1.671214 -0.226702 0.078326
C -3.145189 -0.667776 0.238217
C -4.067590 0.490266 0.687757
C -3.578649 1.886655 0.252436
C -2.748521 1.807591 -1.043723
C -0.608448 -1.242013 -0.389790
C -2.112851 3.145583 -1.418853
C 0.655107 -0.718227 -0.836352
C -0.796299 -2.668323 -0.364052
C 1.072568 0.762476 -0.759777
C 1.646118 -1.594770 -1.342648
C 0.222435 -3.500792 -0.900627
C -1.964012 -3.406467 0.288918
C 1.425217 -2.980679 -1.408175
C 2.374543 0.949746 0.001102
H -3.238897 -1.472403 0.982729
H -5.049184 0.284685 0.213199
H -2.961002 2.352569 1.036129
H -3.400453 1.469078 -1.878132
H -1.513420 3.010930 -2.342338
H -2.926951 3.876303 -1.605330
H -2.315116 0.445829 2.447332
H -2.964806 -1.449647 -1.628795
H -4.772239 1.154237 2.466967
H -5.338510 2.452502 -0.582619
H 0.295490 1.403455 -0.310306
H 1.252932 1.156036 -1.774706
H 2.607614 -1.184333 -1.669285
H 0.066471 -4.585331 -0.890045
H -2.946507 -3.209090 -0.174701
H -1.789426 -4.492868 0.218857
H -2.036405 -3.161912 1.365347
H 2.197554 -3.646792 -1.804477
H -0.900868 4.459744 -0.459429
H 1.576519 -0.062714 1.706996
H 5.003571 1.245325 0.112383


