%chk=000082409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082409

0 1
 S    3.941600       1.472800     -0.8952000    
 S   0.2404000      -2.685700       2.422800    
 S    6.599300      -2.225000      -1.461300    
 O   -3.243300       2.100200     -0.8065000    
 O   -4.523600      -3.039800     -0.1094000    
 O  -0.5675000       4.482900       1.429500    
 O    3.399200      0.4647000      -1.794800    
 O    4.932700       2.420900      -1.385500    
 O   0.8765000      -3.695700       1.308400    
 O    5.480200      -1.196400     -0.8608000    
 O    1.321100      -1.840200       2.901700    
 O  -0.5589000      -3.471600       3.346700    
 O    5.780700      -3.059100      -2.599600    
 O    7.604100      -1.428900      -2.141200    
 O    6.989800      -3.156800     -0.4198000    
 N  -0.9971000       1.862000      0.4996000    
 N   -2.360700      -3.541800       1.219900    
 C   -2.599900      1.5600000E-02  0.1194000    
 C   -2.933300      -1.328200      0.3016000    
 C   -1.402100      0.5152000      0.6444000    
 C   -2.068700      -2.172500       1.008500    
 C  -0.8759000      -1.670500       1.529800    
 C   -3.502700      0.9173000     -0.6250000    
 C   -4.763700      0.3773000      -1.172900    
 C   -5.097300     -0.9664000     -0.9904000    
 C   -4.194200      -1.868300     -0.2467000    
 C  -0.5432000     -0.3295000       1.348200    
 C   0.2678000       2.471200      0.4227000    
 C    2.602100       2.358600     -0.2097000    
 C    1.342300       1.765700     -0.1269000    
 C    4.670900      0.6319000      0.4920000    
 C   0.4636000       3.774700      0.8884000    
 C   -5.628400       1.221700      -1.879600    
 C   -6.295400      -1.465900      -1.514900    
 C    2.793000       3.659200      0.2567000    
 C    1.723700       4.367300      0.8057000    
 C    5.868400     -0.2003000      7.6600000E-02
 C   -6.821400      0.7200000      -2.400400    
 C   -7.154200     -0.6210000      -2.218700    
 C  -0.7662000       4.364700       2.836500    
 H   0.3694000      6.5399997E-02   1.783700    
 H   -1.767800       2.523400      0.4996000    
 H    1.198600      0.7599000     -0.5121000    
 H    4.963900       1.386400       1.227600    
 H    3.890600     -9.6000005E-03  0.9149000    
 H   -5.394100       2.271100      -2.036500    
 H   -6.580300      -2.506900      -1.388300    
 H    3.767100       4.137500      0.2082000    
 H    1.880200       5.379800       1.168000    
 H   -3.213800      -3.944100      0.8587000    
 H   -1.715000      -4.147900       1.705100    
 H    6.637300      0.4358000     -0.3752000    
 H    6.298500     -0.6897000      0.9570000    
 H   -7.491800       1.375600      -2.948700    
 H   -8.083500      -1.009100      -2.625400    
 H    1.386400      -3.260600      0.5851000    
 H   0.1070000       4.740500       3.379200    
 H  -0.9616000       3.324300       3.115000    
 H   -1.635100       4.968700       3.111600    
 H    4.902200      -3.406400      -2.317200    


%chk=000082409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082409

0 1
S 3.667549 1.162221 -0.774670
S 1.300693 -2.465271 1.010077
S 5.647148 -3.172273 -0.075559
O -3.764266 2.089265 0.117093
O -3.947868 -3.337973 -0.909872
O -0.728832 4.484856 1.743707
O 2.672608 -0.023291 -1.423513
O 4.748126 1.923696 -1.718544
O 2.258372 -2.342506 -0.560599
O 5.518314 -1.417419 -0.798332
O 2.102046 -1.556037 2.088770
O 1.068815 -4.052044 1.207984
O 4.283859 -3.832898 -0.934228
O 6.960536 -3.894717 -0.624743
O 5.412825 -2.996061 1.514573
N -1.218486 1.978126 0.689856
N -1.480090 -3.628372 -0.159918
C -2.599336 -0.025290 0.103362
C -2.646910 -1.450463 -0.125726
C -1.398788 0.591002 0.582060
C -1.482190 -2.291715 0.098701
C -0.344814 -1.611191 0.656695
C -3.786994 0.825683 -0.144957
C -5.012997 0.193896 -0.680625
C -5.056916 -1.209763 -0.918493
C -3.875219 -2.073436 -0.653756
C -0.317313 -0.262360 0.946213
C 0.057043 2.565258 0.586372
C 2.404527 2.366336 -0.027361
C 1.095036 1.892828 -0.093101
C 4.639574 0.333079 0.713163
C 0.359483 3.840945 1.166116
C -6.155239 0.992310 -0.945761
C -6.244615 -1.798124 -1.421534
C 2.746168 3.595169 0.558237
C 1.686117 4.346150 1.128165
C 5.878769 -0.344826 0.139278
C -7.329114 0.400258 -1.447425
C -7.373439 -0.998913 -1.685452
C -0.519426 5.809113 2.347072
H 0.552392 0.143613 1.468762
H -2.092147 2.538137 0.671580
H 0.898133 0.991407 -0.677570
H 4.889948 1.186869 1.366205
H 3.913968 -0.349896 1.187437
H -6.092879 2.066794 -0.749334
H -6.251983 -2.877961 -1.596313
H 3.771027 3.977335 0.567859
H 1.913099 5.317452 1.576442
H -2.364128 -4.016059 -0.534861
H -0.671729 -4.204008 0.100860
H 6.494944 0.362053 -0.446429
H 6.475023 -0.726663 0.993211
H -8.209334 1.017746 -1.654650
H -8.288320 -1.457442 -2.075265
H 2.463104 -1.327910 -0.894629
H -0.168085 6.535970 1.591099
H 0.200126 5.750942 3.185068
H -1.507932 6.107274 2.722562
H 3.407913 -3.246506 -0.765261


