%chk=000132966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132966

0 1
 P   0.8495000      -1.651900      -1.100100    
 O   0.5997000      -2.685900      -2.310900    
 O  -7.5599998E-02 -0.4830000      -1.075400    
 O  -0.5883000      -4.383200     -0.6148000    
 O  -0.3251000       3.478200      0.9429000    
 O  -0.1407000       3.760400      -1.304900    
 N   -1.757800      -1.653900       1.589500    
 C    3.127000     -0.4275000     -0.1235000    
 C    4.661200     -0.4659000     -0.1131000    
 C    2.616900       1.019900     -0.1230000    
 C    2.576400      -1.193000      -1.325300    
 C    5.237400      0.3381000       1.050200    
 C    3.196500       1.821500       1.040300    
 C    4.721100       1.773600       1.052500    
 C   0.7988000      -2.675900      0.3450000    
 C  -0.4882000      -3.485200      0.4914000    
 C   -1.771500      -2.652600      0.5298000    
 C   -2.952300     -0.8217000       1.536900    
 C   -2.837600      0.2498000      0.4709000    
 C   -3.216900     -0.2224000       2.920000    
 C   -1.830700       1.211600      0.5536000    
 C   -3.738800      0.2733000     -0.5935000    
 C   -1.725200       2.196900     -0.4281000    
 C   -3.633200       1.258400      -1.575200    
 C   -2.626400       2.220300      -1.492500    
 C  -0.6762000       3.200300     -0.3427000    
 H    2.787100     -0.9062000      0.8011000    
 H    5.050100     -6.4599998E-02  -1.057800    
 H    5.010400      -1.502800     -3.9999999E-02
 H    1.528000       1.047200     -4.0100001E-02
 H    2.879700       1.512900      -1.067400    
 H    3.139100      -2.124600      -1.458300    
 H    2.686000     -0.6175000      -2.251000    
 H    4.970400     -0.1476000       1.996900    
 H    6.331600      0.3402000      0.9902000    
 H    2.861100       2.862700      0.9730000    
 H    2.810400       1.422500       1.986400    
 H    5.109600       2.302400      0.1734000    
 H    5.099700       2.300600       1.935600    
 H    1.645400      -3.370800      0.2943000    
 H   0.9453000      -2.062700       1.239800    
 H  -0.4256000      -4.094800       1.400900    
 H   -1.931700      -2.200400     -0.4557000    
 H   -2.617500      -3.339100      0.6713000    
 H  -0.2669000      -3.139100      -2.385800    
 H   -1.697600      -2.131700       2.488400    
 H   -3.827600      -1.450900       1.322600    
 H   0.2054000      -4.945100     -0.6105000    
 H   -4.102100      0.4239000       2.901300    
 H   -3.399200      -1.010800       3.659400    
 H   -2.376100      0.3811000       3.280700    
 H   -1.121600       1.176800       1.377200    
 H   -4.527600     -0.4698000     -0.6724000    
 H   -4.335000       1.276600      -2.403900    
 H   -2.559300       2.982500      -2.264500    
 H   0.3854000       4.153100      0.9893000    


%chk=000132966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132966

0 1
P 1.153638 -1.799564 -1.031651
O 1.203444 -3.113856 -2.181185
O 0.191186 -0.567532 -1.404373
O -0.645803 -4.449432 -0.672935
O 0.254886 2.424770 1.214876
O -0.241560 3.931673 -0.476195
N -2.313033 -1.928608 1.492465
C 3.449637 -0.293214 -0.068335
C 4.993899 -0.338778 0.102543
C 3.008392 1.081128 -0.635425
C 2.998705 -1.469397 -0.963296
C 5.517837 0.833458 0.965800
C 3.523292 2.243607 0.245137
C 5.061418 2.200018 0.401878
C 0.621947 -2.662930 0.579279
C -0.689780 -3.474128 0.456871
C -1.948009 -2.611561 0.229694
C -3.512115 -1.051321 1.400831
C -3.233098 0.201238 0.565525
C -3.948646 -0.664631 2.834500
C -2.044636 0.939060 0.754931
C -4.187631 0.665215 -0.371823
C -1.816183 2.126763 0.021559
C -3.963020 1.852115 -1.109099
C -2.777389 2.586152 -0.915918
C -0.571326 2.917911 0.188413
H 2.998436 -0.407412 0.943508
H 5.462904 -0.290611 -0.902962
H 5.297294 -1.306416 0.551169
H 1.908861 1.113289 -0.738668
H 3.425262 1.192176 -1.658805
H 3.456266 -2.422794 -0.637543
H 3.301406 -1.304105 -2.014936
H 5.136614 0.723186 2.002701
H 6.622735 0.791755 1.026070
H 3.205454 3.212332 -0.188151
H 3.069254 2.162686 1.258274
H 5.530799 2.363389 -0.590191
H 5.407415 3.020238 1.060414
H 1.459111 -3.306927 0.907842
H 0.458160 -1.868487 1.329888
H -0.822969 -4.049550 1.400153
H -1.748427 -1.844484 -0.540840
H -2.748197 -3.288541 -0.151019
H 0.382464 -3.682194 -2.076815
H -2.439192 -2.608189 2.258469
H -4.364671 -1.591393 0.916757
H -0.070122 -5.215961 -0.423454
H -4.829439 -0.000913 2.805949
H -4.213965 -1.562624 3.426036
H -3.130260 -0.131904 3.350460
H -1.285554 0.575385 1.451857
H -5.108485 0.089613 -0.533096
H -4.706871 2.193779 -1.836821
H -2.570473 3.500514 -1.481441
H 1.087039 2.970207 1.235527


