%chk=000099836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099836

0 1
 S    3.374000      -3.681100     -8.1000000E-02
 O   -6.365000     -0.7655000     -0.9325000    
 O   -4.537500      -1.504500      -2.057000    
 O   -2.669500      -1.881500       2.308800    
 O   -3.215500       3.993900     -0.9007000    
 O   -4.190700       3.582800       1.106100    
 O   0.6491000       1.231000      -1.098200    
 N   -2.952200      -1.245000      9.6600004E-02
 N    2.791300     -0.3578000     -0.9584000    
 N    3.959700       2.761700      0.5387000    
 N    5.128800      0.6930000      0.1886000    
 N    1.685300       3.032600     -0.1160000    
 N    2.897600       4.763700      0.9004000    
 C   -4.289900     -0.7284000      0.2382000    
 C   -4.313900      0.7545000      0.6284000    
 C   -3.691500       1.722600     -0.3858000    
 C   -5.038000      -1.035800      -1.042700    
 C   -2.243900      -1.786400       1.160600    
 C  -0.8661000      -2.251300      0.8564000    
 C   -3.729000       3.171100      5.1100001E-02
 C   0.1004000      -2.275200       1.862000    
 C  -0.5390000      -2.664200     -0.4352000    
 C    1.720800      -3.124500      0.2844000    
 C    1.393800      -2.711800       1.576000    
 C   0.7544000      -3.100800     -0.7213000    
 C    3.887400      -2.499000      -1.359200    
 C    3.917400      -1.085700     -0.8459000    
 C    2.866600      0.9024000     -0.4843000    
 C    4.009200       1.440500      8.4899999E-02
 C    5.064300     -0.5704000     -0.2832000    
 C    1.647100       1.733800     -0.5912000    
 C    2.794500       3.485500      0.4113000    
 H   -4.780300      -1.306300       1.032100    
 H   -3.796700      0.8770000       1.589400    
 H   -5.353400       1.060400      0.8054000    
 H   -2.641700       1.457000     -0.5529000    
 H   -4.228600       1.650300      -1.338000    
 H   -2.505600      -1.123900     -0.8065000    
 H  -0.1336000      -1.952600       2.873100    
 H   -1.269100      -2.692400      -1.238600    
 H    2.134500      -2.721000       2.371800    
 H   0.9824000      -3.431600      -1.731400    
 H    3.218300      -2.567600      -2.223800    
 H    4.881700      -2.788500      -1.717700    
 H    5.975800      -1.148800     -0.1869000    
 H   -6.851300     -0.9800000      -1.756900    
 H    4.795200       3.153700      0.9543000    
 H   -3.254300       4.935700     -0.6289000    
 H    3.760800       5.106300       1.308000    
 H    2.110800       5.402800      0.8684000    


%chk=000099836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099836

0 1
S 3.753827 -3.989263 0.125427
O -5.657747 0.258813 -1.010084
O -3.992814 -0.882149 -2.158982
O -2.354232 -1.468935 2.290198
O -4.173781 4.317998 0.053380
O -1.924263 4.395406 0.519896
O -0.059136 -0.013283 -1.732480
N -2.291806 -0.766282 0.069086
N 2.640745 -0.951478 -1.328979
N 2.584515 2.278396 0.435438
N 4.333175 0.704175 0.266692
N 0.410418 1.924768 -0.534335
N 0.820657 3.832948 0.739093
C -3.602441 -0.130404 0.183014
C -3.561862 1.360375 0.643210
C -2.910434 2.310663 -0.403490
C -4.381024 -0.311709 -1.119631
C -1.774024 -1.458194 1.153143
C -0.478445 -2.181975 0.904974
C -2.908901 3.734873 0.089605
C 0.471518 -2.258856 1.955292
C -0.186936 -2.783976 -0.344348
C 2.042555 -3.382400 0.457237
C 1.739145 -2.835748 1.728290
C 1.062619 -3.399653 -0.561198
C 4.257922 -2.775113 -1.302282
C 3.888130 -1.367390 -0.947591
C 2.200980 0.251749 -0.864694
C 3.058074 1.064429 -0.061637
C 4.730341 -0.521132 -0.165349
C 0.783595 0.699454 -1.103550
C 1.258679 2.663041 0.193648
H -4.146932 -0.674593 0.981538
H -2.994298 1.384161 1.590792
H -4.596640 1.685395 0.848357
H -1.863512 2.022983 -0.605940
H -3.494237 2.273398 -1.341700
H -1.717620 -0.611531 -0.776626
H 0.211749 -1.836263 2.931479
H -0.922809 -2.763173 -1.153586
H 2.498930 -2.837525 2.516571
H 1.286526 -3.848624 -1.532857
H 3.739198 -3.097085 -2.215966
H 5.343909 -2.935776 -1.393202
H 5.739139 -0.836705 0.118784
H -6.154649 0.114827 -1.860381
H 3.228193 2.825075 1.015072
H -4.125026 5.249470 0.403593
H 1.420300 4.430117 1.304418
H -0.186370 4.067402 0.621459


