%chk=000127692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127692

0 1
 P   -3.871500      0.4936000       1.004500    
 P   -3.232700      -1.558200      -1.007400    
 P  -0.6747000      -2.880200     -0.3651000    
 O   0.7008000       2.575100      0.9888000    
 O  -0.4805000       4.270300      -1.270200    
 O   -2.802100       1.652900      0.6429000    
 O    4.063100       1.921300      -1.263100    
 O   -3.198000     -0.8666000      0.4510000    
 O   -3.762700      0.3334000       2.610600    
 O   -5.263400      0.7403000      0.4993000    
 O   -2.212500      -2.801700     -0.8558000    
 O   -2.424400     -0.5205000      -1.947200    
 O   -4.598100      -1.928000      -1.507200    
 O  -0.7659000      -2.459600       1.192900    
 O  -0.3744000      -4.467100     -0.3099000    
 O   0.2863000      -2.073700      -1.188000    
 N    2.335000       1.174300      7.1199998E-02
 N    4.373900     -7.6300003E-02 -0.2310000    
 N    4.685300      -2.123200      0.8279000    
 C  -0.6681000       2.901000     -0.9193000    
 C  -0.6740000       2.750500      0.5955000    
 C   0.5414000       2.097700      -1.338300    
 C    1.496600       2.310900     -0.1753000    
 C   -1.455200       1.530800       1.066900    
 C    1.866700      0.1735000      0.9066000    
 C    3.618900       1.049200     -0.5141000    
 C    2.576800     -0.9167000       1.190300    
 C    3.919000      -1.012600      0.5597000    
 C    5.994300      -2.290700      0.2840000    
 H   -1.583700       2.562800      -1.412600    
 H   -1.060800       3.651400       1.084800    
 H   0.9835000       2.422100      -2.285600    
 H   0.2680000       1.040300      -1.436400    
 H    2.116500       3.197500     -0.3535000    
 H   -1.050600      0.6081000      0.6446000    
 H   -1.408200       1.447800       2.157700    
 H   -1.256800       4.761000     -0.9504000    
 H   0.8944000      0.2807000       1.359800    
 H    2.227100      -1.699200       1.849600    
 H    4.332000      -2.853700       1.439500    
 H   -4.416400     -0.2305000       3.076200    
 H    5.968300      -2.315400     -0.8101000    
 H    6.423200      -3.237200      0.6275000    
 H    6.663100      -1.486200      0.6066000    
 H   -2.382400     -0.6873000      -2.912800    
 H   5.8899999E-02  -2.373300       1.715100    
 H   0.5363000      -4.771200     -0.1087000    


%chk=000127692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127692

0 1
P -4.016111 0.560846 0.162207
P -3.182312 -2.426197 0.702084
P -0.380353 -2.310024 -0.566870
O 0.656590 2.503350 1.214974
O -0.085034 4.505899 -1.092305
O -2.906790 1.814453 0.383081
O 3.947531 1.807760 -1.211213
O -3.396183 -0.724659 1.151171
O -5.346167 1.250420 0.956591
O -4.357094 -0.023892 -1.294240
O -1.483223 -2.617295 0.809102
O -3.346973 -2.411699 -1.010436
O -4.050628 -3.402077 1.570865
O 1.061618 -2.933514 0.005283
O -0.843262 -3.465053 -1.710663
O -0.414206 -0.771336 -0.966128
N 2.419364 1.064496 0.405294
N 4.397260 -0.247318 -0.158457
N 4.774367 -2.297201 0.906162
C -0.408440 3.088078 -0.887102
C -0.676570 2.782541 0.607365
C 0.869764 2.289913 -1.193022
C 1.650700 2.323003 0.141914
C -1.502080 1.513757 0.851391
C 2.028893 0.127372 1.310138
C 3.660371 0.895966 -0.390049
C 2.740520 -1.064911 1.473200
C 3.987997 -1.186696 0.721049
C 6.035972 -2.529442 0.190157
H -1.264574 2.778482 -1.516996
H -1.106691 3.646804 1.141810
H 1.445234 2.755355 -2.004705
H 0.622848 1.250688 -1.467627
H 2.374212 3.153354 0.173899
H -1.094412 0.661386 0.280893
H -1.551396 1.282146 1.928018
H -0.896430 5.057455 -0.954285
H 1.140791 0.367862 1.900539
H 2.516055 -1.712972 2.326675
H 4.446178 -3.009310 1.559408
H -6.229221 0.885901 0.685756
H 5.978933 -3.450615 -0.418225
H 6.880895 -2.615219 0.897762
H 6.203117 -1.666938 -0.472261
H -3.833877 -1.574530 -1.384306
H 1.664832 -2.233850 0.463743
H -1.819717 -3.375137 -1.930139


