%chk=000080336.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080336

0 1
 P   0.3640000      -2.904400     -1.3700000E-02
 O  -0.7320000      -1.952200     -0.7285000    
 O    1.132100      -1.951800       1.039600    
 O    1.259100      -3.643900     -0.9670000    
 O   -2.439200     -0.4418000      -2.104500    
 O    4.849900       2.396200      -1.539900    
 O    5.157200       2.841600      0.5876000    
 N    4.622300       2.169400     -0.3270000    
 C   -1.587600      -1.121200      3.5399999E-02
 C    1.990100     -0.9394000      0.7038000    
 C  -0.5802000      -3.995300       1.037000    
 C   -2.509300     -0.3414000     -0.8818000    
 C   -3.522100      0.5696000     -0.2746000    
 C    2.251700     -0.6730000     -0.6361000    
 C    2.591800     -0.1849000       1.705400    
 C    3.731500       1.119800      2.1500001E-02
 C    3.124900      0.3596000     -0.9783000    
 C    3.465000      0.8477000       1.363300    
 C   -3.582900      0.6690000       1.097100    
 C   -4.358300       1.276600      -1.108800    
 C   -4.530400       1.520800       1.664900    
 C   -5.305700       2.128500     -0.5412000    
 C   -5.391800       2.250600      0.8457000    
 H   -2.193500      -1.753700      0.6883000    
 H  -0.9794000     -0.4212000      0.6138000    
 H   -1.277500      -4.590100      0.4407000    
 H   -1.148300      -3.443600       1.790100    
 H   9.1399997E-02  -4.680100       1.562900    
 H    1.794600      -1.227100      -1.447300    
 H    2.386300     -0.3937000       2.751500    
 H    3.307200      0.5452000      -2.033800    
 H    3.919400       1.419000       2.168800    
 H   -2.932900      0.1227000       1.770800    
 H   -4.307800       1.196100      -2.190200    
 H   -4.597700       1.616700       2.744700    
 H   -5.976600       2.697000      -1.178800    
 H   -6.129400       2.914000       1.287700    


%chk=000080336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080336

0 1
P 0.179323 -2.957936 -0.992816
O -1.054323 -2.091712 -1.872860
O 0.480824 -1.901583 0.409237
O 1.445202 -3.274331 -1.896681
O -2.724189 -1.983182 0.328203
O 5.367925 2.236603 0.346886
O 4.265851 2.869021 2.242895
N 4.403571 2.116280 1.199718
C -1.588348 -0.796527 -1.470347
C 1.492240 -0.932091 0.526800
C -0.676597 -4.369566 -0.173392
C -2.551726 -0.884212 -0.270174
C -3.258071 0.365387 0.151292
C 2.569595 -0.787835 -0.388142
C 1.376209 -0.090161 1.663442
C 3.398065 1.059281 0.968998
C 3.524431 0.220461 -0.160505
C 2.333535 0.911501 1.888861
C -3.054268 1.615940 -0.496235
C -4.163951 0.288213 1.245555
C -3.744805 2.764176 -0.055091
C -4.852438 1.435512 1.683160
C -4.644113 2.676808 1.033445
H -0.777021 -0.074964 -1.245034
H -2.128855 -0.434221 -2.363028
H -1.061569 -5.037821 -0.959536
H -1.507091 -3.959850 0.418124
H 0.048662 -4.906433 0.456485
H 2.659529 -1.460117 -1.246403
H 0.537357 -0.242184 2.348289
H 4.368009 0.362864 -0.840980
H 2.273523 1.576075 2.754414
H -2.362017 1.707057 -1.340368
H -4.307661 -0.682872 1.730903
H -3.583132 3.724835 -0.555206
H -5.549033 1.368442 2.525493
H -5.178742 3.570442 1.373699


