%chk=000126429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126429

1 1
 P   -3.385900       1.003500      -2.149500    
 O   -3.556200       1.613600     -0.6588000    
 O   -3.162100     -0.5828000      -1.928500    
 O   -4.879600       1.113800      -2.762900    
 O   -2.330500       1.673600      -2.981700    
 O    1.181000      -1.551300       1.343800    
 O    1.318600      -3.167100     -0.3411000    
 O    4.973400       2.098600      -2.137100    
 O    6.471200      0.9859000     -0.9807000    
 N   -1.637700       2.198700       2.442700    
 N    5.278200       1.239500      -1.275000    
 C   -2.820900       2.200200       1.545800    
 C   -1.157200      0.7654000       2.707800    
 C   -1.976300       2.846100       3.792300    
 C  -0.4776000       2.982800       1.814500    
 C   -2.440700       1.582500      0.2147000    
 C   -2.187100      -2.336900      0.1524000    
 C   -3.427700      -2.617500     -0.6934000    
 C   -1.548600      -3.637300      0.6502000    
 C   -4.093400      -1.329800      -1.158100    
 C  -0.2869000      -3.388400       1.476500    
 C   0.8189000      -2.724100      0.6844000    
 C    2.201900     -0.8556000      0.6920000    
 C    1.887500      0.1041000     -0.2703000    
 C    3.535500      -1.121300       1.002500    
 C    2.906800      0.7982000     -0.9219000    
 C    4.554900     -0.4272000      0.3508000    
 C    4.240600      0.5326000     -0.6114000    
 H   -3.632200       1.638200       2.024500    
 H   -3.166100       3.233100       1.415400    
 H  -0.3946000      0.8022000       3.492300    
 H  -0.7123000      0.3506000       1.802500    
 H   -2.012400      0.1701000       3.040200    
 H   -1.086500       2.822500       4.428100    
 H   -2.789800       2.274200       4.248200    
 H   -2.288400       3.877700       3.605100    
 H  -0.8568000       3.951800       1.477200    
 H   0.2893000       3.126300       2.582600    
 H  -4.1900001E-02   2.412900      0.9909000    
 H   -2.135300      0.5416000      0.3111000    
 H   -1.644600       2.134600     -0.2894000    
 H   -2.463500      -1.720700       1.016000    
 H   -1.457900      -1.769000     -0.4360000    
 H   -4.148800      -3.212600     -0.1219000    
 H   -3.131400      -3.206900      -1.569700    
 H   -2.270900      -4.190200       1.262500    
 H   -1.301200      -4.272600     -0.2091000    
 H   -4.960100      -1.559000      -1.785900    
 H   -4.435000     -0.7470000     -0.2971000    
 H  -0.5389000      -2.777000       2.351400    
 H   0.1099000      -4.335300       1.859400    
 H   -5.185400       1.977500      -3.113100    
 H   0.8500000      0.3144000     -0.5163000    
 H    3.785900      -1.867500       1.751600    
 H    2.624200       1.538800      -1.665700    
 H    5.582300     -0.6603000      0.6183000    


%chk=000126429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126429

1 1
P -2.899369 0.802377 -1.997758
O -3.067832 1.111626 -0.261878
O -3.073370 -0.868540 -2.163607
O -4.404362 1.399671 -2.523377
O -1.541923 1.384789 -2.571434
O 0.668936 -1.807699 1.179038
O 1.030865 -3.375378 -0.542254
O 3.964624 2.634874 -2.052806
O 5.086630 2.618613 -0.063026
N -0.872869 2.388741 2.557579
N 4.171090 2.186329 -0.863428
C -2.050277 2.178373 1.577075
C -0.580208 1.107196 3.341550
C -1.278361 3.490191 3.540636
C 0.385783 2.833702 1.808284
C -1.813788 1.095710 0.513436
C -2.569475 -2.824434 -0.040816
C -3.649831 -2.987493 -1.131128
C -1.841686 -4.137372 0.320383
C -4.229607 -1.643859 -1.578492
C -0.608616 -3.887380 1.237208
C 0.436403 -3.078531 0.500241
C 1.576555 -0.873865 0.596381
C 1.361668 -0.352779 -0.701930
C 2.649709 -0.433961 1.404498
C 2.222834 0.651061 -1.188968
C 3.513192 0.568913 0.920946
C 3.275937 1.105396 -0.364247
H -2.932796 1.918986 2.186271
H -2.233464 3.146596 1.081960
H 0.185435 1.328907 4.100929
H -0.208278 0.326123 2.662733
H -1.506933 0.772677 3.832846
H -0.456997 3.655275 4.254471
H -2.185573 3.177142 4.079441
H -1.476878 4.416828 2.980930
H 0.141814 3.710988 1.189851
H 1.159845 3.097291 2.545099
H 0.750268 2.014394 1.173197
H -1.674701 0.092370 0.954192
H -0.957755 1.337822 -0.144142
H -3.021733 -2.385053 0.874034
H -1.826123 -2.095982 -0.419905
H -4.488238 -3.616155 -0.769742
H -3.219783 -3.500804 -2.011358
H -2.527801 -4.833337 0.837869
H -1.499396 -4.644129 -0.601391
H -4.976287 -1.748715 -2.381988
H -4.661013 -1.074082 -0.733877
H -0.900783 -3.370040 2.166026
H -0.152192 -4.857411 1.508177
H -4.417246 2.308974 -2.916010
H 0.550098 -0.728140 -1.331676
H 2.809847 -0.894708 2.383949
H 2.088150 1.076956 -2.186820
H 4.363559 0.929156 1.505927


