%chk=000079573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079573

0 1
 S    3.859100      0.7320000      0.1366000    
 S   -3.844800     -0.7422000      0.1382000    
 O    1.170200      0.7495000      -1.374800    
 O   -1.163100     -0.7636000      -1.370600    
 N    2.627700      -1.658000      8.8999998E-03
 N   -2.635200       1.655700     -1.1300000E-02
 N    2.116300     -0.3846000       1.827500    
 N   -2.118500      0.4060000       1.822000    
 C    1.703000      -2.517600      0.6849000    
 C   -1.720400       2.530500      0.6584000    
 C    1.349400      -1.667500       1.917200    
 C   -1.363200       1.696500       1.900700    
 C    2.789500     -0.5094000      0.7151000    
 C   -2.789100      0.5132000      0.7064000    
 C    2.655700       2.086400     -2.6100000E-02
 C   -2.650100      -2.089000     -1.1000000E-02
 C   0.3661000      0.6541000      -2.544300    
 C  -0.3588000     -0.6779000      -2.539100    
 C    1.875000       1.982100      -1.326800    
 C   -1.868700      -1.996300      -1.312200    
 H   0.8223000      -2.721900      7.1699999E-02
 H    2.172000      -3.463000      0.9724000    
 H  -0.8393000       2.736000      4.5800000E-02
 H   -2.198500       3.474800      0.9343000    
 H    1.618400      -2.188100       2.842400    
 H   0.2774000      -1.448100       1.946300    
 H   -1.639700       2.224400       2.819500    
 H  -0.2894000       1.486900       1.935400    
 H    3.077400      -1.887000     -0.8685000    
 H   -3.084100       1.871500     -0.8925000    
 H    3.206800       3.032000     -7.3000002E-03
 H    1.977900       2.083800      0.8330000    
 H   -3.198400      -3.036000      1.5400000E-02
 H   -1.970900      -2.080400      0.8470000    
 H   0.9941000      0.7352000      -3.438200    
 H  -0.3653000       1.470600      -2.538300    
 H  -0.9857000     -0.7662000      -3.433000    
 H   0.3729000      -1.494100      -2.526200    
 H    1.165800       2.816000      -1.384400    
 H    2.552100       2.053100      -2.187000    
 H   -2.544800      -2.074600      -2.172600    
 H   -1.159500      -2.830600      -1.362400    


%chk=000079573-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079573

0 1
S 3.970861 0.614448 -0.160479
S -3.973449 -0.612576 -0.156797
O 1.267144 0.723677 -1.826317
O -1.267734 -0.741006 -1.818024
N 3.021278 -1.838600 0.699910
N -3.020590 1.847533 0.679273
N 1.923112 -0.029328 1.630672
N -1.925472 0.046110 1.628880
C 1.919617 -2.498022 1.453184
C -1.918055 2.512852 1.425963
C 1.259885 -1.267002 2.186295
C -1.261391 1.288519 2.172911
C 2.847422 -0.453833 0.808418
C -2.848712 0.463666 0.801881
C 2.775068 2.051400 -0.465133
C -2.779586 -2.054086 -0.446991
C 0.343941 0.664580 -2.959385
C -0.346446 -0.691524 -2.953097
C 2.052845 1.956411 -1.807219
C -2.055750 -1.972085 -1.789085
H 1.206789 -2.990769 0.761542
H 2.307800 -3.253604 2.158817
H -1.203715 2.996445 0.729387
H -2.305009 3.277002 2.122990
H 1.447015 -1.304060 3.275634
H 0.170177 -1.205870 2.020785
H -1.450696 1.337054 3.261442
H -0.171468 1.224363 2.010034
H 3.437579 -2.258553 -0.131343
H -3.435748 2.259288 -0.156653
H 3.383522 2.969652 -0.414749
H 2.066398 2.018187 0.379362
H -3.389657 -2.970834 -0.389296
H -2.071977 -2.014706 0.398122
H 0.897212 0.786651 -3.919376
H -0.416791 1.472320 -2.884122
H -0.901387 -0.821519 -3.911087
H 0.414313 -1.498700 -2.872422
H 1.384318 2.844108 -1.911507
H 2.773313 1.967223 -2.656158
H -2.775560 -1.988728 -2.638502
H -1.388816 -2.861882 -1.885262


