%chk=000097539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097539

0 1
 P    2.277200     -0.5343000     -0.3464000    
 O    2.983000      0.4045000      0.7458000    
 O    3.081900     -0.7788000      -1.567900    
 O   0.3681000       1.017900       1.531400    
 O   -2.149000      -1.333000      0.7908000    
 O   -3.013300     -0.4917000      -1.167500    
 C   0.7282000      0.3580000     -0.7505000    
 C   -1.687700      0.9536000      0.2652000    
 C  -0.1611000      0.7733000      0.4395000    
 C  -0.1119000     -0.5050000      -1.701700    
 C    1.149100       1.642700      -1.492900    
 C    1.759200      -1.997300      0.4977000    
 C   -2.308000       1.338000       1.627400    
 C   -1.952700       2.111100     -0.7071000    
 C   -2.378000     -0.3518000     -0.1277000    
 C    4.124700      6.0000001E-03   1.481000    
 C   -2.709700      -2.613200      0.4829000    
 H  -0.4711000      -1.421300      -1.231100    
 H  -0.9109000      2.5699999E-02  -2.216100    
 H   0.5363000     -0.8586000      -2.515500    
 H    1.857300       1.416800      -2.297600    
 H   0.3177000       2.177000      -1.953400    
 H    1.648900       2.337200     -0.8082000    
 H    1.108100      -1.765400       1.345000    
 H    1.217100      -2.671800     -0.1706000    
 H    2.623900      -2.546400      0.8819000    
 H   -2.062500      0.6154000       2.414800    
 H   -1.943700       2.315600       1.965500    
 H   -3.401500       1.392900       1.565400    
 H   -1.327700       2.981300     -0.4774000    
 H   -2.998500       2.436000     -0.6383000    
 H   -1.804500       1.843500      -1.754900    
 H    4.863100     -0.4434000      0.8120000    
 H    3.833700     -0.7134000       2.250100    
 H    4.561200      0.8857000       1.959600    
 H   -2.435400      -3.305000       1.283700    
 H   -2.304400      -2.991400     -0.4603000    
 H   -3.800700      -2.545600      0.4355000    


%chk=000097539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097539

0 1
P 1.568398 -0.856603 0.430287
O 3.285591 -0.451600 0.431374
O 1.299273 -2.227032 -0.370737
O -0.241636 1.700204 1.601941
O -1.588328 -1.470868 0.480681
O -2.970675 -0.899424 -1.317408
C 0.678626 0.710953 -0.401454
C -2.005052 0.863226 0.152403
C -0.507748 1.109072 0.518162
C 0.361262 0.281822 -1.850388
C 1.696378 1.886157 -0.397759
C 1.293486 -0.892761 2.265897
C -2.875834 1.043484 1.432650
C -2.461426 1.894493 -0.917499
C -2.249884 -0.566593 -0.352092
C 4.123666 -1.000696 -0.653714
C -1.681169 -2.924160 0.154852
H -0.355484 -0.549417 -1.920579
H -0.019949 1.141208 -2.429068
H 1.286414 -0.064898 -2.344041
H 2.615396 1.608703 -0.938466
H 1.239021 2.757239 -0.903999
H 1.971225 2.185901 0.624878
H 1.559230 0.081563 2.701193
H 0.233810 -1.111583 2.461986
H 1.937743 -1.684631 2.677896
H -2.573272 0.337445 2.222576
H -2.751867 2.066245 1.823757
H -3.939200 0.875895 1.185343
H -2.304408 2.919642 -0.538851
H -3.536472 1.749350 -1.117851
H -1.932083 1.777366 -1.875062
H 3.704324 -1.952338 -1.029918
H 5.116786 -1.171543 -0.209146
H 4.208112 -0.272473 -1.482919
H -2.034156 -3.428555 1.067712
H -0.656853 -3.228347 -0.114359
H -2.386845 -3.071646 -0.678177


