%chk=000064968.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064968

0 1
 P    2.484100      -1.478500      -1.578700    
 P    3.868600      0.6031000     -2.4700001E-02
 P    2.104700       1.631600       2.104800    
 O  -0.9528000      -1.375200       1.030900    
 O   -2.288800      -4.077800       1.563200    
 O    1.418200      -1.803100     -0.4053000    
 O   -4.621300      0.5014000       1.219700    
 O    3.734400     -0.7986000     -0.8145000    
 O    3.058600      -2.927500      -2.011700    
 O    1.940800     -0.6625000      -2.715600    
 O   -3.011000       3.647500      -1.722700    
 O    2.670500      0.5387000       1.057300    
 O    3.352200       1.700600      -1.093300    
 O    5.222700      0.8810000      0.5588000    
 O    1.491600       2.777000       1.143100    
 O   0.7936000      0.9193000       2.725400    
 O    3.109200       2.113500       3.109800    
 N   -2.572400      8.4100001E-02  0.1811000    
 N   -3.806800       2.061900     -0.2506000    
 C   -1.881300      -3.447900      0.3506000    
 C  -0.5802000      -2.689200      0.5727000    
 C   -2.859000      -2.352800     -7.8999996E-03
 C   -2.358700      -1.181000      0.8209000    
 C   0.2360000      -2.526400     -0.7029000    
 C   -1.611900      0.5467000     -0.7091000    
 C   -3.729200      0.8490000      0.4431000    
 C   -1.689100       1.707600      -1.371300    
 C   -2.879400       2.570500      -1.147300    
 C  -0.6431000       2.186900      -2.325800    
 H   -1.801600      -4.226000     -0.4144000    
 H   3.5399999E-02  -3.139100       1.359500    
 H   -3.902300      -2.590600      0.2221000    
 H   -2.791800      -2.134800      -1.080600    
 H   -2.838300      -1.184200       1.806900    
 H  -0.3125000      -2.013300      -1.496400    
 H   0.5223000      -3.513100      -1.082700    
 H   -3.148800      -4.500300       1.396600    
 H  -0.7407000     -6.7400001E-02 -0.8698000    
 H   -4.631300       2.630100     -7.7500001E-02
 H   -1.066000       2.306600      -3.328400    
 H   0.1961000       1.488600      -2.398700    
 H  -0.2414000       3.151800      -1.999300    
 H    2.533400      -3.482200      -2.627000    
 H    3.956300       1.985000      -1.811800    
 H    1.160400       3.608000       1.545300    
 H   0.3107000       1.364400       3.454000    


%chk=000064968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064968

0 1
P 2.013997 -0.811682 -1.984520
P 3.588222 -0.092851 0.579723
P 2.273601 -0.354730 3.566758
O -0.460839 -0.506085 0.001866
O -0.930521 -2.053506 2.707861
O 1.656962 -2.333666 -1.249426
O -4.290077 0.854710 0.896876
O 2.345209 0.232694 -0.569454
O 3.553924 -1.124821 -2.593351
O 0.962008 -0.171418 -2.964540
O -4.626264 2.781500 -3.359545
O 2.910173 -0.849992 1.903420
O 3.827205 1.474356 1.274886
O 4.832009 -0.774908 -0.144060
O 2.894604 1.196507 3.740030
O 0.653751 -0.114149 3.232351
O 2.689886 -1.450477 4.616149
N -2.521859 0.553249 -0.617697
N -4.408582 1.809639 -1.248393
C -1.262781 -2.388301 1.293446
C -0.073545 -1.866660 0.456347
C -2.462189 -1.568421 0.790776
C -1.820868 -0.198454 0.457629
C 0.301777 -2.704003 -0.772782
C -1.954303 0.794532 -1.877345
C -3.782882 1.067827 -0.245838
C -2.596160 1.525933 -2.851469
C -3.921975 2.092344 -2.566795
C -1.979018 1.786328 -4.203718
H -1.400900 -3.481465 1.222026
H 0.826033 -1.773653 1.090251
H -3.281014 -1.465590 1.519058
H -2.869050 -2.024935 -0.130289
H -1.777702 0.450398 1.351799
H -0.431746 -2.584437 -1.591126
H 0.423360 -3.769469 -0.515405
H -1.658633 -2.307958 3.324011
H -0.955187 0.382348 -2.037979
H -5.327383 2.197007 -1.010169
H -2.624173 1.394342 -5.011119
H -0.982905 1.319527 -4.280041
H -1.881065 2.872272 -4.384706
H 4.279233 -1.184240 -1.883917
H 4.177608 2.188040 0.687186
H 3.287473 1.596245 2.895373
H 0.024685 -0.930527 3.083663


