%chk=000076390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076390

0 1
 P   -1.653700      0.3457000      0.4262000    
 O   -1.702300      -1.266300      0.4213000    
 O  -0.5073000      0.7514000     -0.6285000    
 O   -1.541600      0.9742000       1.776900    
 O    5.328500     -0.5321000       1.289500    
 O    5.754600      0.3393000     -0.6798000    
 N    4.946300     -1.3400000E-02  0.2128000    
 C   -3.164300      0.8437000     -0.4305000    
 C   -4.439900      0.4673000      0.3117000    
 C   -5.696400      0.8505000     -0.4696000    
 C   -6.958800      0.4883000      0.2973000    
 C   -1.737900      -2.002400     -0.7884000    
 C   0.8330000      0.5638000     -0.4216000    
 C    1.273500     -1.2100000E-02  0.7654000    
 C    1.742400      0.9496000      -1.400700    
 C   -1.778800      -3.480700     -0.4650000    
 C    2.639000     -0.2043000      0.9757000    
 C    3.107800      0.7572000      -1.190600    
 C    3.556000      0.1803000     -2.3000001E-03
 H   -3.125400       1.932400     -0.5540000    
 H   -3.170900      0.4181000      -1.439000    
 H   -4.441100     -0.6120000      0.5046000    
 H   -4.443500      0.9581000       1.292200    
 H   -5.694600       1.927900     -0.6716000    
 H   -5.702800      0.3379000      -1.438500    
 H   -6.997700       1.011100       1.258300    
 H   -7.005800     -0.5884000      0.4892000    
 H   -7.845900      0.7699000     -0.2786000    
 H   -2.628600      -1.734000      -1.361700    
 H  -0.8504000      -1.775500      -1.385700    
 H   0.6006000     -0.3391000       1.549100    
 H    1.396900       1.398900      -2.327500    
 H   -1.808100      -4.080400      -1.379000    
 H  -0.9002000      -3.771300      0.1204000    
 H   -2.658600      -3.718400      0.1421000    
 H    2.952300     -0.6591000       1.912100    
 H    3.793200       1.069300      -1.974400    


%chk=000076390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076390

0 1
P -1.764250 0.079396 0.593350
O -1.832214 -1.648167 0.440218
O -0.479191 0.546693 -0.550860
O -1.548748 0.495362 2.108713
O 5.622461 0.115530 1.336356
O 5.870880 0.441027 -0.908964
N 5.141513 0.303798 0.150993
C -3.206482 0.819430 -0.328701
C -4.559916 0.433995 0.307212
C -5.738142 1.130374 -0.414015
C -7.103589 0.748188 0.195720
C -1.820783 -2.305348 -0.900970
C 0.901051 0.468443 -0.299218
C 1.454336 0.274364 0.994024
C 1.732868 0.622084 -1.437487
C -1.817175 -3.807443 -0.633050
C 2.852361 0.218239 1.136200
C 3.128363 0.571540 -1.292295
C 3.674223 0.364441 -0.003934
H -3.048132 1.912463 -0.301563
H -3.133385 0.490919 -1.380572
H -4.700051 -0.664506 0.269250
H -4.562906 0.716224 1.377922
H -5.601502 2.229207 -0.361042
H -5.722907 0.863104 -1.490332
H -7.154995 1.030620 1.263560
H -7.280008 -0.341544 0.127314
H -7.931689 1.257862 -0.328765
H -2.721878 -1.998044 -1.470118
H -0.918790 -1.985076 -1.455355
H 0.799980 0.184908 1.866667
H 1.268715 0.781553 -2.414683
H -1.808101 -4.361537 -1.589939
H -0.923970 -4.092547 -0.052787
H -2.712655 -4.104622 -0.061948
H 3.315648 0.069082 2.114927
H 3.798560 0.685384 -2.148028


