%chk=000100221.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100221

0 1
 P    5.491900       2.695100      0.4752000    
 O    2.516400     -0.4554000      0.7090000    
 O    2.682300      -3.578100     -8.7000001E-03
 O    4.197000      -2.296700      -1.878400    
 O    4.756700       1.263200      0.6505000    
 O    6.700900       2.358200     -0.5446000    
 O    4.462400       3.545900     -0.4366000    
 O    5.909200       3.354400       1.757200    
 N   0.2537000     -0.9164000      0.1594000    
 N   -1.232000      0.5195000     -0.6825000    
 N   -1.255600      -2.522100       1.182300    
 N   -4.223000      8.8500001E-02 -0.3452000    
 N   -3.588000      -1.884600      0.8507000    
 C    2.106000      -2.419000     -0.6084000    
 C    3.166800      -1.553900      -1.262500    
 C    1.552300      -1.506900      0.4877000    
 C    3.676600     -0.7292000     -9.3400002E-02
 C    4.331200      0.5750000     -0.5124000    
 C  -0.9787000      -1.406200      0.4910000    
 C   4.7600001E-02  0.2419000     -0.5445000    
 C   -1.885000     -0.5024000     -4.0100001E-02
 C   -3.234700     -0.7737000      0.1602000    
 C   -2.591100      -2.678000       1.312100    
 C   -5.626100     -0.1420000     -0.1686000    
 C   -6.384300      0.9556000     -0.8487000    
 C   -6.792000       2.125500     -0.3208000    
 C   -7.552800       3.189100      -1.060900    
 C   -6.507800       2.452800       1.120900    
 H    1.356700      -2.767100      -1.326600    
 H    2.692400     -0.9093000      -2.012700    
 H    1.426600      -2.032300       1.441500    
 H    4.376700      -1.303700      0.5271000    
 H    3.611800       1.204600      -1.046100    
 H    5.190900      0.3823000      -1.160800    
 H    1.963100      -4.067600      0.4259000    
 H    4.845300      -1.665700      -2.233900    
 H   0.8596000      0.8396000     -0.9358000    
 H   -2.910300      -3.558100       1.860100    
 H   -3.901400      0.9070000     -0.8515000    
 H   -5.915900      -1.094900     -0.6283000    
 H   -5.888000     -0.2203000      0.8916000    
 H    7.361800       3.055000     -0.7438000    
 H    4.661700       4.487800     -0.6243000    
 H   -6.617200      0.7689000      -1.896400    
 H   -8.516200       3.376400     -0.5759000    
 H   -7.751100       2.895400      -2.096900    
 H   -6.982400       4.123200      -1.081200    
 H   -7.436800       2.428200       1.700100    
 H   -5.789400       1.786900       1.603800    
 H   -6.087300       3.462000       1.196500    


%chk=000100221-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100221

0 1
P 3.753419 2.397644 -1.357861
O 3.019074 -0.282260 0.772928
O 3.418052 -3.143430 2.075910
O 3.998066 -3.511483 -0.489324
O 4.476431 0.826057 -1.640777
O 2.586027 2.548251 -2.626749
O 2.723093 2.155660 -0.048385
O 4.841639 3.541430 -1.324405
N 0.777108 -0.670262 1.568607
N -1.155007 0.388417 2.221269
N 0.081024 -1.373437 -0.728916
N -3.562813 0.538391 0.307882
N -2.219976 -0.671304 -1.241885
C 2.411098 -2.582490 1.185115
C 2.990652 -2.464426 -0.259891
C 2.158042 -1.127071 1.642829
C 3.709130 -1.097812 -0.273759
C 3.626315 -0.383084 -1.624289
C -0.115833 -0.777738 0.486853
C 0.092126 0.050518 2.573316
C -1.296057 -0.122375 0.916055
C -2.387091 -0.076213 -0.008123
C -1.028926 -1.268173 -1.526005
C -4.720540 0.656831 -0.606542
C -5.184172 2.094371 -0.711338
C -6.425215 2.587432 -0.427800
C -6.728047 4.065581 -0.613070
C -7.601086 1.759826 0.062460
H 1.483470 -3.183663 1.215669
H 2.164029 -2.495207 -0.990489
H 2.502807 -1.010496 2.683412
H 4.763384 -1.218833 0.033771
H 2.575792 -0.147816 -1.883604
H 4.054861 -1.045465 -2.397149
H 4.053514 -3.654358 1.497357
H 3.606866 -4.253014 -1.013387
H 0.562904 0.288623 3.525166
H -0.950265 -1.717843 -2.520646
H -3.617491 0.986539 1.226309
H -4.374452 0.274404 -1.583600
H -5.533216 -0.009205 -0.261793
H 2.879170 3.157373 -3.351833
H 2.802038 1.243645 0.420096
H -4.412754 2.793629 -1.065634
H -7.560161 4.212122 -1.329949
H -5.851996 4.623029 -0.985865
H -7.049905 4.525550 0.342234
H -8.401960 1.734862 -0.702888
H -7.337569 0.717144 0.303601
H -8.045098 2.218528 0.967418


