%chk=000109543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109543

0 1
 S    3.184000      -2.576800      0.1019000    
 S    6.178800      -2.392200     -0.1151000    
 O   -1.975000      -1.170700      0.1079000    
 O    2.517300       1.102900     -0.6574000    
 O    5.309200      0.8937000       1.643000    
 O    6.765800       2.193000      0.4864000    
 N   -2.162000       1.072800     -0.3680000    
 N    4.355100     -0.3492000     -0.4556000    
 C   -3.434000      0.5534000     -0.1792000    
 C   -3.311700     -0.8133000      0.1107000    
 C   -1.272500      2.1600001E-02 -0.1938000    
 C   -1.923300       2.458500     -0.6855000    
 C   -4.682800       1.136800     -0.2313000    
 C   -5.798000      0.3251000      1.2000000E-02
 C   -5.652100      -1.046100      0.3012000    
 C   -4.388700      -1.635200      0.3536000    
 C   6.2799998E-02  5.2000000E-03 -0.2714000    
 C   -1.777000       3.268400      0.5885000    
 C   -7.157600      0.9457000     -4.1700002E-02
 C   -6.852700      -1.898900      0.5581000    
 C   0.8548000      -1.182800     -6.1500002E-02
 C    2.190200      -1.199900     -0.1390000    
 C    3.003700     -6.9999998E-04 -0.4489000    
 C    5.394100      0.6381000     -0.7363000    
 C    4.670800      -1.675400     -0.1838000    
 C    5.900600       1.326100      0.5051000    
 H   -1.008600       2.560200      -1.281200    
 H   -2.725200       2.874000      -1.306800    
 H   -4.800200       2.192600     -0.4504000    
 H   -4.249900      -2.687200      0.5738000    
 H   0.4941000      0.9631000     -0.5008000    
 H   -2.686900       3.225900       1.196200    
 H  -0.9484000       2.897600       1.201200    
 H   -1.578400       4.317900      0.3500000    
 H   -7.766700      0.4734000     -0.8192000    
 H   -7.662400      0.8527000      0.9253000    
 H   -7.106800       2.014600     -0.2772000    
 H   -7.511000      -1.912000     -0.3165000    
 H   -6.574100      -2.937700      0.7676000    
 H   -7.407500      -1.532500       1.427900    
 H   0.3299000      -2.106400      0.1715000    
 H    4.963200       1.412900      -1.380000    
 H    6.239000      0.1795000      -1.255700    
 H    5.655900       1.355800       2.435700    


%chk=000109543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109543

0 1
S 3.280255 -2.551824 0.107785
S 6.370202 -2.235034 -0.067866
O -2.069882 -1.179678 0.089058
O 2.712292 1.289280 -0.706028
O 5.576245 0.909536 1.757534
O 7.373394 1.756922 0.548905
N -2.285739 1.031638 -0.428087
N 4.472761 -0.270871 -0.431793
C -3.590898 0.532483 -0.208761
C -3.453102 -0.837899 0.101111
C -1.360435 0.004508 -0.231166
C -1.928731 2.426912 -0.743149
C -4.865947 1.120097 -0.255449
C -5.996794 0.301585 0.011245
C -5.837358 -1.089580 0.322524
C -4.538298 -1.668786 0.368460
C 0.022969 0.057341 -0.315443
C -1.580241 3.253310 0.512801
C -7.384432 0.916111 -0.033247
C -7.050360 -1.956229 0.607921
C 0.855828 -1.080480 -0.107271
C 2.244791 -1.063005 -0.171529
C 3.080458 0.096938 -0.455189
C 5.490062 0.752099 -0.665427
C 4.811802 -1.591531 -0.155642
C 6.268851 1.177276 0.578171
H -1.076535 2.413437 -1.445748
H -2.783785 2.873452 -1.280616
H -5.001337 2.181176 -0.486955
H -4.397436 -2.726686 0.605112
H 0.503450 1.012272 -0.544044
H -2.431132 3.289222 1.215199
H -0.710837 2.823734 1.039030
H -1.325996 4.287759 0.221393
H -8.027774 0.414436 -0.781112
H -7.901243 0.825263 0.941346
H -7.342441 1.987371 -0.291917
H -7.745171 -1.981394 -0.253450
H -6.757203 -2.995209 0.832268
H -7.628996 -1.576200 1.471601
H 0.358749 -2.032395 0.122167
H 4.955754 1.639076 -1.057924
H 6.225548 0.404276 -1.408684
H 6.124490 1.203793 2.534170


