%chk=000029402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029402

0 1
 P  -4.4999998E-03 -3.5999999E-03 -0.3007000    
 O    1.451600     -0.1670000      0.3912000    
 O  -0.8750000      -1.176900      0.3920000    
 O  -0.5855000       1.337000      0.3918000    
 O  -4.1999999E-03 -3.5999999E-03  -1.803800    
 C    2.285600      -1.231200      0.2228000    
 C   -2.220300      -1.361100      0.2217000    
 C  -7.2099999E-02   2.594200      0.2217000    
 C    3.522900      -1.276300      0.8653000    
 C   -2.878100      -2.405400      0.8651000    
 C  -0.6477000       3.686000      0.8649000    
 C    1.889900      -2.283400     -0.6031000    
 C   -2.922400     -0.4886000     -0.6050000    
 C    1.034900       2.765900     -0.6046000    
 C    2.731700      -3.380400     -0.7866000    
 C   -4.294100     -0.6621000     -0.7898000    
 C    1.570600       4.040500     -0.7891000    
 C    4.364600      -2.373200      0.6817000    
 C   -4.249800      -2.578900      0.6802000    
 C  -0.1120000       4.960600      0.6803000    
 C    3.969000      -3.425300     -0.1441000    
 C   -4.957700      -1.707300     -0.1470000    
 C   0.9971000       5.137900     -0.1466000    
 C    3.963100     -0.1587000       1.752000    
 C   -2.136200      -3.348500       1.753300    
 C   -1.835800       3.515200       1.752700    
 C    2.309200      -4.505800      -1.669300    
 C   -5.051700      0.2696000      -1.674000    
 C    2.756700       4.230600      -1.672900    
 H   0.9367000      -2.287300      -1.119800    
 H   -2.444600      0.3356000      -1.122200    
 H    1.509700       1.940200      -1.121800    
 H    5.332000      -2.423500       1.174400    
 H   -4.781600      -3.388400       1.173000    
 H  -0.5472000       5.826000       1.173000    
 H    4.635200      -4.273100     -0.2798000    
 H   -6.025700      -1.854900     -0.2836000    
 H    1.403500       6.136600     -0.2830000    
 H    4.009000      0.7786000       1.187500    
 H    3.265800     -3.9999999E-02   2.587900    
 H    4.957600     -0.3381000       2.174500    
 H   -2.793000      -4.116800       2.175100    
 H   -1.348900      -3.860900       1.190200    
 H   -1.683400      -2.805600       2.589600    
 H   -1.592600       2.851400       2.588900    
 H   -2.172700       4.468100       2.174500    
 H   -2.673000       3.089900       1.189200    
 H    1.245700      -4.729600      -1.532200    
 H    2.484500      -4.246800      -2.718200    
 H    2.862200      -5.423600      -1.442500    
 H   -4.915200     -1.3200000E-02  -2.722500    
 H   -6.123400      0.2552000      -1.448400    
 H   -4.708700       1.300800      -1.537300    
 H    3.280100       5.165800      -1.447100    
 H    3.478200       3.418000      -1.535800    
 H    2.444000       4.253800      -2.721600    


%chk=000029402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029402

0 1
P -0.061999 -0.004750 -0.114338
O 1.434197 -0.354081 0.683063
O -1.120784 -1.082759 0.729281
O -0.475577 1.488484 0.657531
O -0.079214 -0.048255 -1.701209
C 2.245828 -1.480224 0.305027
C -2.507982 -1.213367 0.369042
C 0.188907 2.719106 0.318560
C 2.413373 -2.502203 1.273205
C -3.461032 -0.804688 1.335606
C 0.955831 3.332702 1.340560
C 2.886906 -1.488461 -0.946892
C -2.857165 -1.795794 -0.862875
C -0.001667 3.288626 -0.953608
C 3.752360 -2.558530 -1.288606
C -4.223060 -1.999816 -1.183817
C 0.587005 4.541919 -1.259021
C 3.288079 -3.557168 0.917392
C -4.819172 -1.024626 1.000726
C 1.528106 4.587368 1.019645
C 3.943709 -3.589291 -0.335388
C -5.196209 -1.606515 -0.231736
C 1.351734 5.181194 -0.251610
C 1.687697 -2.455032 2.601237
C -3.034446 -0.164585 2.639731
C 1.151121 2.664531 2.684920
C 4.448795 -2.584087 -2.638023
C -4.617551 -2.634003 -2.506239
C 0.384137 5.176825 -2.623799
H 2.703185 -0.669753 -1.651433
H -2.068619 -2.078902 -1.568767
H -0.598270 2.752778 -1.700178
H 3.451148 -4.369925 1.634905
H -5.592519 -0.724915 1.717800
H 2.130104 5.100400 1.778864
H 4.608941 -4.426996 -0.575387
H -6.259012 -1.753295 -0.457183
H 1.816842 6.150952 -0.464100
H 2.015776 -1.589572 3.206470
H 0.598520 -2.340598 2.452305
H 1.871473 -3.374580 3.182332
H -3.912580 0.147028 3.230159
H -2.432954 -0.862624 3.250866
H -2.398556 0.720491 2.454580
H 1.568848 1.648664 2.560676
H 1.833215 3.252924 3.321661
H 0.189776 2.547728 3.218674
H 3.717825 -2.549000 -3.467132
H 5.120281 -1.713493 -2.760398
H 5.055838 -3.497401 -2.760029
H -4.343535 -3.706016 -2.533883
H -5.705362 -2.562730 -2.677690
H -4.105609 -2.145536 -3.355280
H 1.043892 6.050428 -2.762622
H 0.593070 4.458590 -3.437465
H -0.659641 5.521233 -2.754010


