%chk=000001139.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001139

0 1
 P    4.503700      -1.282200      0.4218000    
 O   0.5235000      0.3797000      0.2327000    
 O    1.583800       3.147100     -0.2793000    
 O    3.041800     -0.8036000     -8.1000000E-02
 O   -3.062000       2.001600       1.479200    
 O   -5.147200      -1.846700      6.8099998E-02
 O    4.825600     -0.2952000       1.661800    
 O    5.481300     -0.7415000     -0.7474000    
 O    4.623200      -2.748000      0.7206000    
 N   -1.816500      0.4847000      0.2143000    
 N   -4.089500      7.7799998E-02  0.7695000    
 C    1.026200       2.204100      -1.186400    
 C    1.411700      0.7740000     -0.8302000    
 C  -0.4716000       2.168200     -0.9854000    
 C  -0.6103000       1.260200      0.2286000    
 C    2.847400      0.5684000     -0.3842000    
 C   -1.817900     -0.7334000     -0.4576000    
 C   -2.987700      0.9353000      0.8650000    
 C   -2.873900      -1.551400     -0.5472000    
 C   -4.142000      -1.142500      0.1132000    
 C   -2.849800      -2.856500      -1.275900    
 H    1.327200       2.479100      -2.201300    
 H    1.189100      0.1050000      -1.671400    
 H  -0.5640000       1.852700       1.150100    
 H  -0.9261000       3.148000     -0.8081000    
 H  -0.9511000       1.724900      -1.866700    
 H    3.053400       1.149600      0.5201000    
 H    3.537500      0.8758000      -1.175700    
 H    1.252800       4.026000     -0.5316000    
 H  -0.8977000      -1.018700     -0.9552000    
 H   -4.942000      0.3835000       1.230500    
 H   -3.080200      -3.680300     -0.5925000    
 H   -1.870100      -3.058800      -1.721800    
 H   -3.589000      -2.857200      -2.083500    
 H    5.645300     -0.4378000       2.181300    
 H    6.430800     -0.9864000     -0.7230000    


%chk=000001139-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001139

0 1
P 4.687352 -1.319051 -0.002466
O 0.603164 0.325619 -0.003429
O 1.728450 3.180899 -0.200125
O 3.319571 -0.643616 -0.759498
O -2.969462 2.244127 0.955616
O -5.333005 -1.710418 0.105305
O 4.549887 -0.994135 1.696351
O 5.849844 -0.116562 -0.381703
O 4.947059 -2.828159 -0.388153
N -1.794647 0.385882 0.129091
N -4.108827 0.232700 0.528695
C 1.048865 2.367757 -1.221550
C 1.527022 0.913946 -1.022828
C -0.466491 2.261047 -0.962253
C -0.546523 1.210499 0.173181
C 2.960231 0.787043 -0.532180
C -1.797792 -0.942011 -0.304998
C -2.965591 1.037914 0.570239
C -2.937405 -1.713740 -0.348981
C -4.211447 -1.124386 0.088775
C -2.944642 -3.149842 -0.811250
H 1.284759 2.737958 -2.238598
H 1.412012 0.341908 -1.964104
H -0.504539 1.685797 1.168192
H -0.936825 3.212665 -0.669573
H -0.980111 1.877432 -1.863072
H 3.034177 1.045573 0.536278
H 3.644532 1.422019 -1.119934
H 1.359766 4.099030 -0.209378
H -0.813308 -1.324062 -0.583025
H -4.977501 0.675881 0.844787
H -3.333930 -3.813258 -0.017857
H -1.932471 -3.487645 -1.091170
H -3.615626 -3.278968 -1.680010
H 4.123826 -1.721047 2.218508
H 6.705325 -0.173295 0.112517


