%chk=000145729.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145729

0 1
 P   -3.023400      0.8849000      0.8440000    
 P   -3.757800      -1.485400     -0.7359000    
 O    1.216000       1.674800      0.9472000    
 O    2.140700       4.141100     -0.6132000    
 O   -1.585700       1.615300      0.9712000    
 O    4.738900     -0.2095000      1.6200000E-02
 O   -2.745300     -0.3999000     -9.7099997E-02
 O   -3.890300       1.862500     -0.1100000    
 O   -3.679300      0.5573000       2.154100    
 O    2.506600      -4.238600      0.1875000    
 O   -4.334300      -2.257200      0.5618000    
 O   -2.766300      -2.568700      -1.410800    
 O   -4.797000     -0.9091000      -1.651700    
 N    2.407100     -0.1774000      0.1562000    
 N    3.625400      -2.214900      0.1009000    
 C    1.292000       3.055200     -0.9789000    
 C   0.4394000       2.640200      0.2120000    
 C    2.126900       1.824500      -1.247500    
 C    2.329900       1.254200      0.1468000    
 C  -0.8680000       1.974800     -0.1982000    
 C    3.666800     -0.8144000      8.5600004E-02
 C    1.243800     -0.9319000      0.2345000    
 C    1.220400      -2.266300      0.2481000    
 C    2.493400      -3.011300      0.1773000    
 H   0.7008000       3.375200      -1.842000    
 H   0.2403000       3.475300      0.8928000    
 H    1.564000       1.127700      -1.880300    
 H    3.082300       2.029800      -1.740500    
 H    3.231900       1.681500      0.6006000    
 H  -0.7082000       1.088300     -0.8163000    
 H   -1.472800       2.682300     -0.7752000    
 H    2.708200       4.337000      -1.378300    
 H   0.3026000     -0.4089000      0.2962000    
 H    4.519300      -2.695600      5.0999999E-02
 H   0.2935000      -2.823100      0.3129000    
 H   -4.303900       2.661500      0.2806000    
 H   -5.046900      -2.920600      0.4422000    
 H   -3.150800      -3.300000      -1.939600    


%chk=000145729-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145729

0 1
P -2.866162 0.771336 1.330129
P -2.088229 -1.593225 -0.628089
O 1.394916 1.989395 1.022077
O 2.060282 4.323218 -0.727694
O -1.544763 1.860129 1.233543
O 3.517728 -0.640103 -1.550089
O -2.145873 -0.786018 0.895793
O -3.777217 1.134121 -0.071737
O -3.543404 0.749775 2.747159
O 0.418930 -3.902250 -0.333418
O -3.755474 -1.359235 -1.056210
O -2.019927 -3.228439 -0.319434
O -1.045828 -0.942025 -1.637452
N 1.997661 -0.183095 0.191244
N 2.086240 -2.337266 -0.788462
C 1.218290 3.166384 -1.048995
C 0.442008 2.833391 0.240617
C 2.039377 1.878441 -1.309645
C 2.298691 1.307566 0.111729
C -0.880978 2.121520 -0.070057
C 2.613785 -1.028663 -0.765205
C 1.129180 -0.671881 1.149175
C 0.675634 -1.973915 1.121545
C 1.034744 -2.815646 0.006948
H 0.545445 3.393816 -1.900647
H 0.270277 3.728827 0.857272
H 1.448246 1.166113 -1.910723
H 2.981060 2.068960 -1.845617
H 3.331353 1.461417 0.464286
H -0.727258 1.176064 -0.626737
H -1.532328 2.789466 -0.663287
H 2.650141 4.524378 -1.497486
H 0.782594 0.062999 1.878519
H 2.402733 -2.928527 -1.564775
H -0.043861 -2.327973 1.858406
H -4.144125 0.319450 -0.547970
H -4.223969 -2.128753 -1.462780
H -1.039718 -3.669151 -0.277732


