%chk=000004779.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004779

0 1
 P    2.304900      -2.300000     -6.2899999E-02
 O    1.683100      -3.667500      0.5144000    
 O    3.833800      -2.323600      0.4389000    
 O    2.090800      -2.038400      -1.511400    
 O   -2.309900     -0.9953000       1.813200    
 O   -3.987500      0.3349000       2.562900    
 N   -5.413300     -0.2520000      0.2927000    
 C    1.496200       1.194100     -0.1319000    
 C   0.3429000      0.7869000     -0.9051000    
 C   -2.035600      0.6135000      -1.163600    
 C    2.090500      0.3293000      0.7890000    
 C   -3.428600      0.8552000     -0.6296000    
 C  -0.9424000       1.010600     -0.4115000    
 C    1.562300      -1.051200       1.015200    
 C   -3.955500     -0.3150000      0.2156000    
 C   0.5167000      0.1691000      -2.143700    
 C   -1.880000     -8.9999998E-04  -2.395200    
 C    2.017100       2.476000     -0.3170000    
 C    3.202100      0.7452000       1.522100    
 C  -0.5946000     -0.2248000      -2.888600    
 C    3.128500       2.891800      0.4162000    
 C    3.720900       2.026400       1.335800    
 C   -3.442400     -0.2642000       1.644600    
 H   -3.441700       1.789800     -5.2099999E-02
 H   -4.090600       1.035000      -1.488300    
 H   -1.084400       1.493600      0.5525000    
 H    1.752500      -1.348600       2.054700    
 H   0.4738000      -1.095100      0.9121000    
 H   -3.689800      -1.285100     -0.2200000    
 H    1.507000      4.5899998E-02  -2.574000    
 H   -2.739200     -0.3106000      -2.983000    
 H    1.568900       3.164800      -1.029500    
 H    3.675700      8.2400002E-02   2.241500    
 H  -0.4594000     -0.6928000      -3.859400    
 H    3.532800       3.889300      0.2711000    
 H    4.586500       2.350300       1.906200    
 H   -5.808100     -0.3298000     -0.6441000    
 H   -5.702500      0.6621000      0.6404000    
 H    1.911100      -4.517100      8.0499999E-02
 H    4.475400      -2.914300     -9.6000005E-03
 H   -1.990300     -0.9668000       2.740100    


%chk=000004779-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004779

0 1
P 3.203525 -2.399296 -0.309070
O 2.786202 -3.983639 0.252877
O 4.773250 -2.104455 0.382342
O 3.195254 -2.214585 -1.895810
O -3.141420 -1.146150 1.588983
O -3.672708 1.007818 2.270652
N -5.806083 0.718723 0.347123
C 1.382106 0.964685 0.049633
C 0.204076 0.478028 -0.737339
C -2.223318 0.617338 -1.215789
C 2.284535 0.092757 0.735832
C -3.601899 1.159312 -0.878615
C -1.084284 1.016788 -0.474723
C 2.068063 -1.407323 0.796724
C -4.452424 0.222176 0.067997
C 0.346577 -0.472780 -1.784396
C -2.057542 -0.336736 -2.253007
C 1.600668 2.367797 0.139248
C 3.376252 0.643257 1.457731
C -0.782517 -0.873034 -2.532967
C 2.687032 2.904068 0.859104
C 3.586925 2.035409 1.518352
C -3.740601 0.097779 1.412796
H -3.532690 2.147536 -0.385844
H -4.201757 1.285772 -1.800695
H -1.201475 1.748123 0.335606
H 2.269775 -1.800524 1.807735
H 1.046363 -1.699423 0.505964
H -4.514381 -0.780749 -0.387040
H 1.334159 -0.875706 -2.040865
H -2.926269 -0.650415 -2.845829
H 0.914103 3.038122 -0.389623
H 4.063476 -0.037299 1.972750
H -0.657081 -1.596646 -3.346016
H 2.834185 3.988881 0.899975
H 4.437281 2.438010 2.079289
H -6.420634 0.779062 -0.467711
H -5.829042 1.547905 0.948385
H 3.116207 -4.729289 -0.309643
H 5.480275 -1.974301 -0.300329
H -2.666462 -1.163896 2.465414


