%chk=000017682.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017682

0 1
 P  -6.3000000E-03 -0.9440000     -0.2506000    
 O  -1.8000000E-03  0.6174000     -0.6816000    
 O    1.252200      -1.096900      0.7530000    
 O   -1.265700      -1.089500      0.7530000    
 O  -9.2000002E-03  -1.919200      -1.394900    
 C   4.9999999E-03   2.992100     -0.3754000    
 C   2.4499999E-02   4.134800      0.6358000    
 C   1.2000001E-03   1.633800      0.3113000    
 C   7.1900003E-02   5.488600     -5.4099999E-02
 C    2.566000     -0.9641000      0.3916000    
 C   -2.578900     -0.9490000      0.3915000    
 C    2.891900     -0.6757000     -0.9294000    
 C   -2.903100     -0.6589000     -0.9294000    
 C    3.563100      -1.119200       1.348800    
 C   -3.576600      -1.097500       1.349000    
 C    4.230600     -0.5413000      -1.297600    
 C   -4.240900     -0.5151000      -1.297300    
 C    4.901700     -0.9846000      0.9805000    
 C   -4.914400     -0.9537000      0.9810000    
 C    5.235400     -0.6956000     -0.3427000    
 C   -5.246500     -0.6625000     -0.3422000    
 H  -0.8749000       3.074100      -1.025700    
 H   0.8759000       3.058000      -1.039800    
 H   0.8971000       4.036900       1.292200    
 H  -0.8670000       4.084300       1.271700    
 H   0.8899000       1.523800      0.9400000    
 H  -0.8876000       1.529900      0.9411000    
 H   0.9711000       5.583400     -0.6712000    
 H  -0.8029000       5.632300     -0.6965000    
 H   8.3700001E-02   6.292400      0.6886000    
 H    2.146700     -0.5423000      -1.704800    
 H   -2.157200     -0.5304000      -1.705000    
 H    3.307500      -1.344300       2.380400    
 H   -3.322300      -1.323900       2.380600    
 H    4.491100     -0.3149000      -2.327500    
 H   -4.500000     -0.2870000      -2.327100    
 H    5.684200      -1.104600       1.724000    
 H   -5.697600      -1.068400       1.724700    
 H    6.277700     -0.5904000     -0.6293000    
 H   -6.288100     -0.5502000     -0.6285000    


%chk=000017682-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017682

0 1
P -0.028338 -0.543785 -0.653368
O -0.021396 1.162100 -0.863468
O 1.220747 -0.891995 0.495628
O -1.281311 -0.886385 0.492218
O -0.029432 -1.304804 -2.040735
C 0.023818 3.494754 -0.222196
C 0.114924 4.544577 0.912603
C 0.017440 2.070311 0.330988
C 0.116874 5.989813 0.369665
C 2.606234 -0.992739 0.155942
C -2.664023 -1.005876 0.146272
C 3.071008 -1.348642 -1.129818
C -3.117682 -1.391107 -1.135026
C 3.492073 -0.761731 1.229942
C -3.558365 -0.763038 1.210468
C 4.466251 -1.457160 -1.332029
C -4.510548 -1.517817 -1.342838
C 4.880960 -0.885938 1.009059
C -4.944647 -0.905835 0.984286
C 5.373479 -1.229083 -0.272328
C -5.426231 -1.278821 -0.292885
H -0.894964 3.657960 -0.816166
H 0.882022 3.608484 -0.911148
H 1.036444 4.370416 1.504188
H -0.736952 4.413470 1.610497
H 0.931402 1.853094 0.915529
H -0.872399 1.875037 0.958860
H 0.978476 6.159762 -0.302478
H -0.804397 6.198260 -0.205537
H 0.177446 6.726447 1.191200
H 2.368081 -1.542244 -1.946522
H -2.408173 -1.592268 -1.944070
H 3.085724 -0.501755 2.211857
H -3.160556 -0.479560 2.189358
H 4.839328 -1.729779 -2.325220
H -4.874971 -1.813204 -2.332744
H 5.575018 -0.712452 1.838623
H -5.645210 -0.723320 1.806412
H 6.451494 -1.321210 -0.441004
H -6.502248 -1.385339 -0.465814


