%chk=000170453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170453

0 1
 S    2.748700       4.022400      0.3646000    
 S   -4.816800      0.7039000     -0.3064000    
 O    3.377100      -2.691300      0.3958000    
 O    7.155600      0.9936000     -0.4341000    
 O    2.857900       4.539500      -1.180600    
 O    1.345300       4.081200      0.7383000    
 O    3.760000       4.710700       1.148000    
 O   -3.954400     -0.6899000     -0.2996000    
 O   -4.397500       1.519500      -1.429800    
 O   -4.842100       1.224400       1.047900    
 O   -10.76710      -1.259500      0.6754000    
 O   -9.270300     -0.8675000       2.340500    
 N    1.507500     -0.9012000      0.7244000    
 N    5.495800       2.959200     -0.1535000    
 C    3.878400     -0.3798000      0.2450000    
 C    4.865100      0.5842000      2.7600000E-02
 C    2.559100      1.5900001E-02  0.4963000    
 C    4.532600       1.943700      6.1000001E-02
 C    3.216600       2.333500      0.3115000    
 C    5.611300      -2.221200     -5.3500000E-02
 C    6.598100      -1.257300     -0.2706000    
 C    4.215300      -1.817700      0.2119000    
 C    6.261100      0.1806000     -0.2382000    
 C    2.232000       1.371700      0.5287000    
 C    5.943900      -3.580800     -8.6800002E-02
 C    7.917600      -1.652900     -0.5212000    
 C   0.1265000     -0.8473000      0.4654000    
 C    7.260000      -3.970600     -0.3367000    
 C    8.244600      -3.008800     -0.5538000    
 C  -0.7684000      -1.536900       1.287000    
 C  -0.3568000     -0.1047000     -0.6147000    
 C   -2.617600     -0.7416000     -4.8999999E-02
 C   -2.138400      -1.484100       1.030100    
 C   -1.726800     -5.1899999E-02 -0.8714000    
 C   -6.466900      0.1942000     -0.6808000    
 C   -7.323500     -0.1365000      0.3550000    
 C   -6.872500      0.1332000      -2.003100    
 C   -8.625500     -0.5407000      5.9799999E-02
 C   -8.174600     -0.2708000      -2.298400    
 C   -9.051100     -0.6077000      -1.267000    
 C   -9.539800     -0.8907000       1.134900    
 H    1.215700       1.678900      0.7553000    
 H    1.799800      -1.745300       1.207600    
 H    5.196500      -4.351900      7.8699999E-02
 H    8.705600     -0.9248000     -0.6937000    
 H    5.238200       3.935600     -0.1567000    
 H    6.459400       2.718900     -0.3378000    
 H    7.517300      -5.025600     -0.3624000    
 H    9.268400      -3.315100     -0.7483000    
 H  -0.4081000      -2.118400       2.131900    
 H   0.3143000      0.4179000      -1.291000    
 H   -2.828000      -2.022700       1.674400    
 H   -2.074600      0.5093000      -1.732900    
 H    2.262100       4.085400      -1.821900    
 H   -6.990200     -9.3199998E-02   1.387900    
 H   -6.204100      0.3816000      -2.821500    
 H   -8.504800     -0.3251000      -3.331700    
 H   -10.05550     -0.9174000      -1.541800    
 H   -11.37610      -1.493000       1.408300    


%chk=000170453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170453

0 1
S 3.240656 4.236439 -0.567393
S -5.202087 1.165257 0.603899
O 2.997357 -2.538559 0.667656
O 7.460876 0.569565 -0.286708
O 3.037416 4.095068 -2.407407
O 1.823617 4.648724 0.084082
O 4.566261 5.131251 -0.270093
O -4.018120 0.108060 -0.871628
O -5.288968 2.791753 0.440276
O -4.798432 0.502260 2.045379
O -10.057753 -3.136816 -0.059610
O -8.064108 -3.526134 1.069082
N 1.432008 -0.566379 0.250494
N 6.010041 2.689346 -0.534366
C 3.876621 -0.350141 0.108733
C 5.044184 0.467542 -0.094595
C 2.555901 0.231889 0.066439
C 4.923371 1.893873 -0.332820
C 3.580042 2.410502 -0.299061
C 5.374172 -2.394601 0.399689
C 6.524143 -1.589042 0.166537
C 4.025340 -1.794252 0.398545
C 6.394184 -0.132183 -0.081541
C 2.443596 1.644476 -0.111440
C 5.522956 -3.784907 0.643440
C 7.811934 -2.182270 0.177917
C 0.082731 -0.310458 -0.034282
C 6.804203 -4.366032 0.650856
C 7.951805 -3.562404 0.417381
C -0.882673 -1.116568 0.650078
C -0.366219 0.641553 -1.006608
C -2.703891 -0.005246 -0.569055
C -2.247473 -0.965414 0.397287
C -1.733379 0.804120 -1.249028
C -6.864224 0.460937 0.058050
C -7.187479 -0.849225 0.427733
C -7.706217 1.290518 -0.702604
C -8.443834 -1.357779 0.009852
C -8.955789 0.766649 -1.107952
C -9.322817 -0.550207 -0.757705
C -8.790861 -2.752505 0.403387
H 1.471926 2.141307 -0.034245
H 1.704643 -1.533564 0.571150
H 4.622558 -4.379582 0.822714
H 8.678511 -1.539462 -0.002025
H 5.901437 3.709345 -0.589139
H 6.926493 2.204393 -0.522143
H 6.917677 -5.439070 0.837049
H 8.947638 -4.017812 0.425041
H -0.535952 -1.843863 1.392756
H 0.352296 1.207107 -1.606357
H -2.991778 -1.563817 0.930681
H -2.091877 1.523490 -1.992214
H 2.857597 5.012230 -2.769042
H -6.516314 -1.468691 1.031164
H -7.396695 2.311239 -0.949681
H -9.637887 1.388532 -1.695853
H -10.285873 -0.964112 -1.068245
H -10.237590 -4.071231 0.229790


