%chk=000007881.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007881

0 1
 P  -1.3200000E-02  -1.983900     -5.7100002E-02
 O    1.181900      -1.022000     -0.5688000    
 O   -1.137700     -0.9773000      0.5307000    
 O   0.5820000      -2.685400       1.274600    
 O  -0.5193000      -2.953400      -1.086400    
 C    2.840100      0.6990000     -0.4225000    
 C   -2.808700      0.7291000      0.4068000    
 C    1.745800     -6.1200000E-02  0.3132000    
 C   -1.807600     -0.1132000     -0.3711000    
 C    3.502800       1.741000      0.4741000    
 C   -3.580500       1.675400     -0.5084000    
 C    4.623700       2.468100     -0.2511000    
 C   -4.609200       2.483800      0.2659000    
 H    2.414900       1.178600      -1.313000    
 H    3.587800     -1.3000000E-02 -0.7940000    
 H   -2.281200       1.297000       1.183400    
 H   -3.502200      6.6200003E-02  0.9395000    
 H    2.161000     -0.5763000       1.185300    
 H   0.9651000      0.6270000      0.6514000    
 H   -2.320000     -0.7177000      -1.126900    
 H   -1.075600      0.5270000     -0.8739000    
 H    3.910600       1.257400       1.369400    
 H    2.757200       2.470700      0.8107000    
 H   -4.091000       1.102800      -1.291500    
 H   -2.884800       2.359600      -1.008000    
 H    5.403100       1.768800     -0.5704000    
 H    4.245000       2.988600      -1.136500    
 H    5.083300       3.210500      0.4089000    
 H   -5.340600       1.828200      0.7493000    
 H   -4.128800       3.092100       1.038900    
 H   -5.149100       3.155800     -0.4086000    
 H    1.187400      -3.450900       1.176500    


%chk=000007881-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000007881

0 1
P 0.031933 -1.519786 -0.170823
O 1.493440 -0.768226 -0.634881
O -1.044107 -0.292849 0.424494
O 0.512643 -2.189535 1.342838
O -0.579411 -2.467711 -1.279976
C 3.430780 0.666059 -0.430267
C -3.232725 0.765857 0.352675
C 2.237486 0.097392 0.336279
C -2.068564 0.273877 -0.508037
C 4.294989 1.587839 0.464541
C -4.332410 1.443893 -0.500289
C 5.508115 2.167494 -0.294651
C -5.518202 1.935872 0.357276
H 3.064061 1.228197 -1.310019
H 4.043757 -0.171542 -0.813143
H -2.848667 1.481134 1.105414
H -3.660735 -0.091009 0.907226
H 2.551827 -0.527224 1.191839
H 1.560934 0.896797 0.696500
H -2.387128 -0.510518 -1.221440
H -1.600962 1.106948 -1.066984
H 4.648939 1.019875 1.348546
H 3.670912 2.418083 0.853455
H -4.700772 0.730988 -1.265523
H -3.896378 2.300356 -1.053361
H 6.167999 1.359888 -0.662578
H 5.182029 2.759483 -1.170142
H 6.110876 2.827461 0.355436
H -5.991073 1.095827 0.899532
H -5.185458 2.676410 1.108521
H -6.293808 2.413835 -0.268249
H -0.228118 -2.542763 1.896191


