%chk=000004699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004699

0 1
 P   -5.463100      -1.082200     -0.5089000    
 O   -4.886700      0.1176000      0.4108000    
 O   -2.672700     -0.8928000       1.662200    
 O   0.9335000      0.3422000      -1.418100    
 O   -6.948800      -1.310000      8.7399997E-02
 O   -5.739600     -0.3738000      -1.936100    
 O   -4.604700      -2.312200     -0.5588000    
 O    8.171700       1.074800      0.6314000    
 O    7.531900       2.205400      -1.138100    
 N   -1.417200     -0.2889000     -0.1949000    
 N    2.076100     -0.6112000      0.3966000    
 N    7.288200       1.420800     -0.1897000    
 C  -0.3473000      -2.486900     -0.5686000    
 C  -0.2635000      -1.107300      9.7300000E-02
 C   0.6053000      -3.547900      1.9300001E-02
 C   -3.621900      0.6720000      8.2999997E-02
 C   -3.491100       2.084500      0.6644000    
 C   -2.536600     -0.2512000      0.6225000    
 C   -4.561900       3.032600      0.1136000    
 C   0.5164000      -4.883800     -0.7198000    
 C   0.2909000      -3.758000       1.503100    
 C   0.9678000     -0.3519000     -0.4058000    
 C   -4.446400       4.457600      0.6600000    
 C   -5.458900       5.421400      6.0500000E-02
 C    3.387100     -9.8399997E-02  0.2503000    
 C    4.385600     -0.4691000       1.150900    
 C    3.681200      0.7757000     -0.7962000    
 C    5.678200      3.4000002E-02   1.005100    
 C    4.974000       1.279000     -0.9421000    
 C    5.972400      0.9081000     -4.1400000E-02
 H   -1.376600      -2.863300     -0.4901000    
 H  -0.1482000      -2.387500      -1.644200    
 H  -0.2162000      -1.187700       1.186300    
 H    1.640900      -3.203100     -7.2999999E-02
 H   -3.538500      0.7301000      -1.009000    
 H   -3.590500       2.040300       1.756500    
 H   -2.492900       2.484300      0.4491000    
 H   -1.406600      0.2668000      -1.045600    
 H   -5.559800       2.643800      0.3500000    
 H   -4.484500       3.061600     -0.9804000    
 H   0.7547000      -4.753800      -1.780500    
 H    1.223300      -5.609700     -0.3043000    
 H  -0.4902000      -5.309500     -0.6489000    
 H  -0.7733000      -3.962600       1.662500    
 H   0.8550000      -4.611000       1.897600    
 H   0.5731000      -2.896100       2.113100    
 H   -4.572400       4.439800       1.749100    
 H   -3.438100       4.841100      0.4631000    
 H    1.949000      -1.229300       1.194200    
 H   -6.481500       5.090000      0.2664000    
 H   -5.331400       6.421200      0.4869000    
 H   -5.333300       5.494400      -1.024300    
 H    4.169300      -1.150300       1.970100    
 H    2.962600       1.111200      -1.530400    
 H    6.430800     -0.2769000       1.725400    
 H    5.167900       1.958500      -1.768300    
 H   -7.484200      -2.061000     -0.2467000    
 H   -6.034300     -0.9264000      -2.691000    


%chk=000004699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004699

0 1
P -2.861701 0.137555 -2.077703
O -3.865305 0.736017 -0.818323
O -2.786530 -0.120271 2.185851
O 0.810838 0.336992 -1.219076
O -3.883782 0.583371 -3.376222
O -1.553006 1.243681 -2.169683
O -2.435999 -1.395804 -2.051389
O 8.370288 -0.953966 -1.643647
O 7.424312 -0.035419 -3.507439
N -1.125302 0.562819 0.678765
N 2.302742 -0.554408 0.340064
N 7.356985 -0.498178 -2.303773
C -0.640421 -1.899866 0.789608
C -0.083825 -0.441716 0.949175
C 0.337250 -3.054120 1.128072
C -3.350099 1.493917 0.376253
C -4.593613 1.919180 1.153012
C -2.408972 0.569676 1.197030
C -5.519578 2.864655 0.359956
C -0.384742 -4.400251 0.869362
C 0.848513 -3.003565 2.590612
C 1.040279 -0.177471 -0.071859
C -6.778014 3.259139 1.165652
C -7.710718 4.210456 0.385994
C 3.532981 -0.519285 -0.372490
C 4.682670 -1.009469 0.308862
C 3.649562 -0.022094 -1.699838
C 5.937290 -1.005970 -0.317999
C 4.907232 -0.018454 -2.328800
C 6.035523 -0.507341 -1.636183
H -1.513133 -1.966822 1.465045
H -1.022040 -2.005976 -0.243515
H 0.301970 -0.312517 1.980946
H 1.209840 -3.015564 0.441605
H -2.792305 2.373050 -0.006584
H -5.133873 1.007112 1.465141
H -4.248856 2.412876 2.084474
H -0.936483 1.217156 -0.088054
H -5.818150 2.371945 -0.584078
H -4.964903 3.784213 0.076627
H -0.741491 -4.465720 -0.174146
H 0.289177 -5.255951 1.058397
H -1.263896 -4.504291 1.532871
H -0.001610 -3.024698 3.297854
H 1.494798 -3.873206 2.809559
H 1.436106 -2.091867 2.827723
H -7.333166 2.340327 1.443735
H -6.471831 3.737740 2.118860
H 2.354622 -0.948965 1.284445
H -8.055026 3.742354 -0.555212
H -8.604975 4.477060 0.978853
H -7.188489 5.149279 0.120876
H 4.591959 -1.394734 1.331658
H 2.764704 0.351187 -2.215342
H 6.832986 -1.377378 0.185721
H 5.026789 0.358116 -3.347984
H -3.858113 -0.058472 -4.131220
H -0.635469 0.828936 -2.008598


