%chk=000112694.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112694

0 1
 P  -0.6188000     -2.0700000E-02  -2.050300    
 O   -1.755600      0.8483000      -1.286800    
 O   -1.026000     -0.3663000      -3.458000    
 O  -0.1114000       1.862900       1.196600    
 O    4.093200      0.3998000      0.3826000    
 O   0.1466000       3.576500     -0.3251000    
 O    4.159500      0.4950000      -1.923100    
 O   -2.155600      0.7538000       2.761800    
 O    4.092800      -1.512900       2.408200    
 C   0.7443000       1.143600      -2.036200    
 C    1.302900       1.458200     -0.6478000    
 C  -0.3083000      -1.366500     -0.9688000    
 C   -1.323600      -1.772700     -7.8199998E-02
 C    2.735200       2.000300     -0.6828000    
 C   -2.632900      -1.066000     -6.7400001E-02
 C   -2.790400      0.2081000     -0.6517000    
 C   0.3848000       2.439800      6.2100001E-02
 C   0.9257000      -2.028400      -1.011700    
 C   -1.028600      -2.845100      0.7850000    
 C   -3.781000      -1.622300      0.5296000    
 C   -3.999900      0.9088000     -0.6018000    
 C    1.183000      -3.092600     -0.1556000    
 C    3.745900      0.8909000     -0.8410000    
 C   0.2077000      -3.497800      0.7464000    
 C   -4.999700     -0.9339000      0.5685000    
 C   -5.107000      0.3340000      9.4999997E-03
 C  -0.9825000       2.687500       1.977000    
 C    5.031800     -0.6803000      0.3695000    
 C   -1.444300       1.907700       3.192900    
 C    5.312200      -1.109500       1.796700    
 H    1.530500      0.6983000      -2.655800    
 H   0.4285000       2.059900      -2.548600    
 H    1.319000      0.5417000     -4.9400002E-02
 H    2.872400       2.714100      -1.504000    
 H    2.974300       2.555500      0.2334000    
 H    1.691000      -1.712200      -1.714900    
 H   -1.749500      -3.194000       1.519800    
 H   -3.760700      -2.612900      0.9772000    
 H   -4.083100       1.896600      -1.046900    
 H    2.142600      -3.599500     -0.1878000    
 H   0.4049000      -4.322500       1.425300    
 H   -5.863800      -1.393300       1.040300    
 H   -6.051000      0.8688000      4.5200001E-02
 H  -0.4489000       3.590500       2.292900    
 H   -1.847000       2.962400       1.361800    
 H    5.960200     -0.3585000     -0.1147000    
 H    4.592300      -1.515600     -0.1882000    
 H   -2.103500       2.516800       3.818000    
 H  -0.5867000       1.570400       3.783200    
 H    6.016700      -1.946000       1.820900    
 H    5.715500     -0.2738000       2.377100    
 H   -2.435700      0.2756000       3.560700    
 H    4.305600      -1.780500       3.318500    


%chk=000112694-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112694

0 1
P -0.558976 -0.037901 -2.106050
O -1.745433 0.719323 -1.004749
O -1.058787 -0.266269 -3.603512
O -0.214021 2.480049 1.346339
O 4.263568 0.398242 0.660450
O 0.128348 3.775890 -0.564053
O 3.770349 0.248420 -1.619343
O -3.048147 2.318613 2.497384
O 3.948447 -2.589780 1.345835
C 0.817848 1.210307 -1.896525
C 1.132914 1.526294 -0.415152
C -0.164368 -1.534356 -1.081820
C -1.119422 -2.046564 -0.148207
C 2.633967 1.934198 -0.209673
C -2.450368 -1.412962 0.053428
C -2.717103 -0.071826 -0.365520
C 0.288714 2.709606 0.068893
C 1.093477 -2.155635 -1.269433
C -0.730301 -3.190830 0.608008
C -3.515815 -2.104829 0.697498
C -3.956591 0.555791 -0.112513
C 1.448534 -3.290877 -0.511767
C 3.590561 0.789407 -0.502487
C 0.525049 -3.802127 0.431033
C -4.756920 -1.491860 0.951368
C -4.975615 -0.149674 0.557545
C -0.977469 3.605438 1.979033
C 5.315290 -0.663780 0.542311
C -1.874728 2.992077 3.050098
C 5.075577 -1.701506 1.637993
H 1.700145 0.791160 -2.410963
H 0.503509 2.124311 -2.431328
H 0.916330 0.663351 0.239308
H 2.868861 2.768216 -0.896171
H 2.790173 2.273784 0.826891
H 1.803894 -1.750301 -1.999710
H -1.409434 -3.592932 1.365698
H -3.377946 -3.151054 0.988403
H -4.101835 1.581361 -0.462530
H 2.426130 -3.762694 -0.643958
H 0.793385 -4.673489 1.037898
H -5.551811 -2.056752 1.448541
H -5.933105 0.340857 0.759100
H -0.240353 4.307228 2.412331
H -1.564352 4.121918 1.200649
H 6.283142 -0.150054 0.682693
H 5.262004 -1.113327 -0.463964
H -2.282746 3.802723 3.678336
H -1.278057 2.313635 3.695310
H 5.954251 -2.366605 1.695087
H 4.952069 -1.194655 2.617061
H -2.767479 1.577915 1.900476
H 3.108244 -2.065474 1.308529


