%chk=000091713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091713

0 1
 S    1.469000     -0.9149000      0.9258000    
 S   -2.482500      -3.569500     -0.3192000    
 O   0.9896000       3.359700     -0.8423000    
 O    3.217200       1.787200      -2.963500    
 O    4.649900       2.759900      -1.468700    
 O   -1.913800       1.049100       2.734400    
 O   -5.185400     -3.0099999E-02  0.2521000    
 O   -8.670800      0.3335000     -0.4641000    
 O   -7.175000      -1.313400     -0.8750000    
 N    2.134400       1.470600     -2.3399999E-02
 N  -0.8333000       1.099200      0.6510000    
 N    6.082600     -0.9353000     -0.2558000    
 N   -4.213400      0.7360000      0.9103000    
 N   -3.217000      -1.234600      -1.150600    
 N   -3.226300      -2.936000      -2.792400    
 C    1.680400      0.8572000       1.209500    
 C   0.4165000       1.735000       1.065300    
 C    1.181800       2.423000     -0.1031000    
 C    3.213900       1.054900     -0.7335000    
 C    3.784200     -0.1489000     -0.4969000    
 C    3.224800      -1.167600      0.4931000    
 C    4.999200     -0.6836000      -1.218500    
 C    3.749200       1.961300      -1.836300    
 C   -1.862600      0.8264000       1.535500    
 C   -3.046300      0.1666000      0.8765000    
 C    6.949600      5.0500002E-02  1.3000000E-02
 C    6.167300      -2.142000      0.3206000    
 C   -2.916900      -1.124400      0.1931000    
 C    7.981400     -0.1584000      0.9170000    
 C    7.179200      -2.407900       1.232000    
 C    8.093700      -1.402400       1.530400    
 C   -6.422300      0.6606000      0.3363000    
 C   -2.501700      -2.283200      0.8150000    
 C   -6.781800      0.8082000       1.811800    
 C   -6.258800       2.009000     -0.3589000    
 C   -7.431800     -0.2167000     -0.3926000    
 C   -3.024300      -2.478800      -1.528200    
 H    2.305700       1.117400       2.071800    
 H   0.2666000       2.419600       1.909500    
 H    3.806200      -1.150500       1.420300    
 H    3.267300      -2.174300      6.7199998E-02
 H  -0.9652000      0.8423000     -0.3246000    
 H    5.390400     -6.6000000E-03  -1.985100    
 H    4.765700      -1.623000      -1.734500    
 H    6.809800      0.9967000     -0.4950000    
 H    5.445800      -2.897100      3.4200002E-02
 H    8.687800      0.6336000       1.141200    
 H    7.259500      -3.383700       1.698900    
 H    8.894500      -1.588700       2.239900    
 H   -2.217100      -2.436100       1.846600    
 H   -6.092100       1.465900       2.352000    
 H   -6.758100     -0.1647000       2.317100    
 H   -7.788800       1.221900       1.934900    
 H   -5.555200       2.670000      0.1587000    
 H   -5.880500       1.876500      -1.379500    
 H   -7.213800       2.541900     -0.4250000    
 H   -3.065800      -3.906300      -3.042100    
 H   -3.546800      -2.325200      -3.536700    
 H   -9.302800     -0.2488000     -0.9372000    


%chk=000091713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091713

0 1
S 1.390086 -1.241030 1.043074
S -2.534166 -2.979846 -2.104151
O 1.319605 2.380640 -2.035093
O 3.702044 0.509101 -3.174506
O 5.465709 1.308470 -1.865434
O -1.972415 1.923681 1.606031
O -5.464783 0.028450 0.296673
O -9.053385 0.168391 0.906469
O -7.719466 -1.313591 -0.283148
N 2.417451 0.932602 -0.376479
N -0.816230 0.810864 -0.080228
N 6.492260 -1.086117 0.350099
N -4.326869 0.790282 0.717064
N -3.849199 -0.630141 -2.042745
N -4.269896 -1.887934 -4.032853
C 1.612011 0.615087 0.832731
C 0.431216 1.464607 0.234233
C 1.389569 1.736744 -0.984686
C 3.582827 0.282433 -0.782121
C 4.026820 -0.827523 -0.076521
C 3.298821 -1.450823 1.101831
C 5.295357 -1.505615 -0.522638
C 4.291481 0.760046 -2.071964
C -1.974381 1.102947 0.642916
C -3.206404 0.359466 0.163873
C 7.066546 0.147046 0.113714
C 6.914452 -1.896310 1.378137
C -3.111857 -0.727282 -0.848243
C 8.111729 0.583262 0.948251
C 7.956483 -1.491730 2.221486
C 8.572709 -0.234064 2.004463
C -6.694842 0.628657 0.929588
C -2.340694 -1.872384 -0.695560
C -6.586267 0.559470 2.467970
C -6.894423 2.067163 0.409000
C -7.814389 -0.296617 0.427232
C -3.682637 -1.694399 -2.808235
H 2.054082 1.013139 1.759935
H 0.199997 2.353420 0.846628
H 3.606131 -1.039363 2.082686
H 3.453651 -2.545297 1.128508
H -0.864027 0.143216 -0.854784
H 5.564481 -1.240269 -1.556995
H 5.233149 -2.605955 -0.436744
H 6.584441 0.744325 -0.706055
H 6.401820 -2.854704 1.489619
H 8.556134 1.562200 0.751957
H 8.279640 -2.154313 3.028043
H 9.394270 0.096278 2.647222
H -1.717479 -2.170138 0.144851
H -5.717428 1.156818 2.789328
H -6.443621 -0.481863 2.805194
H -7.503647 0.961202 2.928460
H -6.042214 2.684814 0.737205
H -6.935201 2.080410 -0.693692
H -7.831296 2.488817 0.807870
H -4.093694 -2.716651 -4.591793
H -4.919373 -1.179509 -4.367662
H -9.771689 -0.439581 0.582288


