%chk=000085513.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085513

0 1
 P  -0.2623000     -0.7858000      0.8069000    
 O  -0.3845000      0.3785000     -0.3272000    
 O  -0.8963000     -0.3229000       2.099700    
 N  -0.9570000      -2.134900      0.1075000    
 N    1.393000      -1.058700      0.9372000    
 C   -1.997300      -1.968900     -0.9046000    
 C    2.086400      -1.497500     -0.2795000    
 C   -3.221300      -1.282900     -0.3001000    
 C    3.504100     -0.9296000     -0.3164000    
 C   -1.229200      -3.310800      0.9289000    
 C    1.857500      -1.883300       2.056700    
 C   -4.315200      -1.079900      -1.349000    
 C    4.252500      -1.392400      -1.567000    
 C   -5.550700     -0.4296000     -0.7470000    
 C    5.652500     -0.8028000      -1.629000    
 C  -0.1882000       1.718400     -0.1255000    
 C   0.7030000       2.153000      0.8558000    
 C  -0.8798000       2.649100     -0.9009000    
 C   0.9024000       3.518100       1.061800    
 C  -0.6802000       4.014300     -0.6948000    
 C   0.2109000       4.448700      0.2865000    
 H   -2.273800      -2.930200      -1.355300    
 H   -1.603000      -1.364400      -1.729700    
 H    1.558200      -1.117300      -1.162300    
 H    2.086000      -2.590600     -0.3742000    
 H   -2.955500     -0.3061000      0.1195000    
 H   -3.629700      -1.883400      0.5213000    
 H    4.081700      -1.242000      0.5600000    
 H    3.462300      0.1670000     -0.2987000    
 H  -0.3542000      -3.578700       1.524200    
 H   -1.464200      -4.189200      0.3180000    
 H   -2.053800      -3.132600       1.625900    
 H    2.912100      -1.705600       2.285500    
 H    1.307100      -1.621900       2.966700    
 H    1.715600      -2.952900       1.877600    
 H   -3.937300     -0.4509000      -2.163400    
 H   -4.595800      -2.045000      -1.786700    
 H    4.321100      -2.486500      -1.576300    
 H    3.698500      -1.094000      -2.464600    
 H   -5.973000      -1.050900      4.9199998E-02
 H   -6.318900     -0.2928000      -1.514500    
 H   -5.311600      0.5526000     -0.3269000    
 H    5.616900      0.2911000      -1.653700    
 H    6.168700      -1.146200      -2.531000    
 H    6.245800      -1.108000     -0.7612000    
 H    1.260800       1.462400       1.477200    
 H   -1.575800       2.315800      -1.665800    
 H    1.596600       3.856800       1.825300    
 H   -1.218900       4.738900      -1.298300    
 H   0.3662000       5.511600      0.4468000    


%chk=000085513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085513

0 1
P -0.270669 -0.895373 0.923932
O -0.201786 0.391305 -0.303955
O -0.929769 -0.435165 2.309542
N -1.053093 -2.055294 -0.109469
N 1.322647 -1.524233 1.153722
C -2.189974 -1.626344 -0.968973
C 2.149729 -1.954837 0.003121
C -3.545931 -1.478515 -0.235960
C 3.219444 -0.930533 -0.444323
C -1.087792 -3.458546 0.360090
C 1.979777 -1.372763 2.465425
C -4.669512 -1.021922 -1.194358
C 4.026161 -1.438008 -1.661978
C -6.029173 -0.855381 -0.481879
C 5.102515 -0.430869 -2.121043
C 0.199121 1.720856 -0.022466
C -0.037111 2.364284 1.217340
C 0.819018 2.407182 -1.093583
C 0.368849 3.709524 1.371433
C 1.205653 3.754255 -0.923939
C 0.986923 4.410935 0.310455
H -2.276391 -2.380103 -1.778152
H -1.914099 -0.667627 -1.439018
H 1.468081 -2.169578 -0.841330
H 2.645960 -2.910344 0.278453
H -3.430857 -0.743250 0.585160
H -3.835057 -2.439497 0.235273
H 3.917754 -0.718605 0.389873
H 2.722210 0.025419 -0.698109
H -0.140959 -3.706914 0.868582
H -1.193818 -4.118505 -0.520724
H -1.924267 -3.665767 1.058230
H 2.741922 -0.569533 2.463088
H 1.217107 -1.128532 3.223554
H 2.469571 -2.326556 2.742781
H -4.378745 -0.060387 -1.664419
H -4.772337 -1.755489 -2.020897
H 4.507714 -2.405542 -1.410294
H 3.330759 -1.644305 -2.501285
H -6.357230 -1.807977 -0.024667
H -6.817025 -0.528635 -1.185351
H -5.961702 -0.102554 0.325326
H 4.644429 0.536116 -2.401567
H 5.662806 -0.807828 -2.996287
H 5.830837 -0.232611 -1.312267
H -0.527961 1.820129 2.030602
H 0.978171 1.880227 -2.039816
H 0.189448 4.212141 2.328767
H 1.680313 4.287563 -1.755381
H 1.290741 5.455083 0.441341


