%chk=000170735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170735

0 1
 S   -8.916200     -0.6523000     -0.3485000    
 S    8.916000     -0.6523000      0.3496000    
 O   -3.354100     -0.3503000       1.368400    
 O    3.354400     -0.3504000      -1.369000    
 O   -8.894900      -1.225700      -1.685700    
 O   -9.738700      -1.259600      0.6876000    
 O    8.894300      -1.225900       1.686700    
 O    9.738800      -1.259400     -0.6864000    
 N   -3.697700     -0.3639000     -0.8719000    
 N    3.697300     -0.3643000      0.8712000    
 C  -0.7070000      0.9846000      2.7500000E-02
 C   0.7072000      0.9845000     -2.8500000E-02
 C   -1.393300     -0.2403000      5.4600000E-02
 C    1.393200     -0.2406000     -5.6000002E-02
 C   -2.839500     -0.3192000      0.1129000    
 C    2.839400     -0.3194000     -0.1138000    
 C  -0.6955000      -1.448000      2.6799999E-02
 C   0.6951000      -1.448200     -2.8500000E-02
 C   -7.265600     -0.5630000      0.2223000    
 C    7.265500     -0.5630000     -0.2217000    
 C   -4.906300     -0.4320000     -0.2222000    
 C    4.906100     -0.4322000      0.2219000    
 C   -4.700000     -0.4238000       1.149400    
 C    4.700200     -0.4240000      -1.149800    
 C   -6.219100     -0.5032000     -0.7095000    
 C    6.218800     -0.5033000      0.7097000    
 C   -1.393000       2.209800      5.5000000E-02
 C    1.393600       2.209400     -5.5599999E-02
 C   -9.424700       1.045600     -0.4878000    
 C    9.424300       1.045600      0.4892000    
 C   -7.013200     -0.5522000       1.599600    
 C    7.013600     -0.5522000      -1.599200    
 C   -5.709500     -0.4817000       2.102300    
 C    5.710000     -0.4816000      -2.102300    
 C  -0.6948000       3.417400      2.7600000E-02
 C   0.6958000       3.417200     -2.7700000E-02
 C   -10.85120       1.159000     -0.9771000    
 C    10.85060       1.159000      0.9790000    
 H   -1.221500      -2.399900      4.7699999E-02
 H    1.220800      -2.400300     -4.9500000E-02
 H   -6.401800     -0.5036000      -1.778800    
 H    6.401100     -0.5038000       1.778900    
 H   -2.478300       2.260400      9.8200001E-02
 H    2.478900       2.259800     -9.8800004E-02
 H   -9.324000       1.506100      0.4996000    
 H   -8.743000       1.541300      -1.185500    
 H    9.323900       1.506200     -0.4982000    
 H    8.742300       1.541100       1.186700    
 H   -7.832900     -0.5916000       2.313300    
 H    7.833600     -0.5914000      -2.312600    
 H   -5.503500     -0.4710000       3.165300    
 H    5.504400     -0.4708000      -3.165300    
 H   -1.237100       4.358200      4.9300000E-02
 H    1.238300       4.357900     -4.8999999E-02
 H   -11.14300       2.210500      -1.058400    
 H   -10.97010      0.6959000      -1.961900    
 H   -11.54640      0.6654000     -0.2905000    
 H    11.14230       2.210600       1.060500    
 H    10.96920      0.6959000       1.963900    
 H    11.54620      0.6657000      0.2926000    


%chk=000170735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170735

0 1
S -8.801823 -1.257804 0.838242
S 8.801389 -1.257330 -0.841298
O -3.787386 1.993883 0.280186
O 3.787407 1.994340 -0.278973
O -8.329070 -2.673616 1.512952
O -9.956070 -0.309567 1.512863
O 8.328248 -2.672793 -1.516464
O 9.955326 -0.308799 -1.516038
N -3.518174 -0.306757 0.332656
N 3.518075 -0.306242 -0.332179
C -0.728674 2.317101 0.065214
C 0.728667 2.317306 -0.059531
C -1.433879 1.049660 0.123032
C 1.433907 1.050012 -0.120691
C -2.882229 0.864064 0.246664
C 2.882223 0.864553 -0.245099
C -0.699712 -0.156085 0.059859
C 0.699759 -0.155903 -0.060411
C -7.250104 -0.186705 0.618029
C 7.249835 -0.186260 -0.619744
C -4.889514 -0.003187 0.428738
C 4.889370 -0.002702 -0.428955
C -5.063570 1.412989 0.396514
C 5.063506 1.413448 -0.396303
C -6.014364 -0.846912 0.550561
C 6.014105 -0.846435 -0.551780
C -1.407296 3.581769 0.127744
C 1.407154 3.582227 -0.118465
C -9.395734 -1.666318 -0.974904
C 9.396189 -1.666764 0.971345
C -7.431188 1.216104 0.605599
C 7.430989 1.216536 -0.606898
C -6.301636 2.060274 0.488748
C 6.301543 2.060714 -0.489065
C -0.709500 4.788281 0.069354
C 0.709250 4.788508 -0.056571
C -10.639081 -2.543977 -0.876339
C 10.639587 -2.544234 0.871720
H -1.247719 -1.100691 0.106993
H 1.247801 -1.100369 -0.109893
H -5.934050 -1.935365 0.624297
H 5.933675 -1.934851 -0.625921
H -2.492019 3.595894 0.221979
H 2.491855 3.596751 -0.212759
H -9.573539 -0.675061 -1.421762
H -8.524868 -2.163776 -1.430997
H 9.574093 -0.675736 1.418671
H 8.525583 -2.164567 1.427559
H -8.438577 1.628917 0.724005
H 8.438327 1.629342 -0.725771
H -6.395519 3.148599 0.481908
H 6.395477 3.149032 -0.481920
H -1.255858 5.736204 0.120129
H 1.255540 5.736616 -0.104564
H -10.993517 -2.791636 -1.893883
H -10.417396 -3.487193 -0.348349
H -11.452528 -2.021660 -0.344263
H 10.994565 -2.792356 1.888962
H 10.417745 -3.487214 0.343375
H 11.452704 -2.021558 0.339492


