%chk=000043860.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043860

0 1
 P    3.899700       2.348400      0.1410000    
 O    1.615900      -1.190500       1.084000    
 O   0.6471000      -3.709900      -1.289600    
 O    2.899000      -3.820700      0.2276000    
 O    3.458900      0.8807000      0.6637000    
 O    2.816000       2.687100      -1.010500    
 O    5.249100       2.043700     -0.6964000    
 O    4.040900       3.387400       1.214700    
 N  -0.6332000      -1.292300      0.3349000    
 N   0.2051000      0.9965000     -4.1099999E-02
 N   -4.002300       1.617400     -0.1834000    
 N   -4.801100      0.4759000      1.1000000E-03
 N   -1.695800       2.563900     -0.3213000    
 N   -4.946000      -1.877600      0.3948000    
 C   0.6204000      -2.030700      0.4691000    
 C    1.213500      -2.490900     -0.8539000    
 C    2.682600      -2.611700     -0.5001000    
 C    2.889100      -1.428200      0.4400000    
 C    3.303400     -0.1572000     -0.2882000    
 C  -0.7470000      5.9900001E-02  0.1076000    
 C   -1.902000      -1.861400      0.4189000    
 C   -2.090000      0.3056000      5.4400001E-02
 C   -2.824300     -0.8555000      0.2425000    
 C   -2.602600       1.565600     -0.1619000    
 C   -4.263600     -0.7089000      0.2046000    
 C  -0.3728000       2.217300     -0.2513000    
 C   -4.659800       2.886300     -0.4013000    
 H   0.4207000      -2.866700       1.151000    
 H    1.072300      -1.738800      -1.638600    
 H    3.351000      -2.616700      -1.365900    
 H    3.606900      -1.654300       1.236600    
 H    2.550000      0.1410000      -1.022300    
 H    4.253600     -0.3191000     -0.8067000    
 H   -2.014200      -2.923000      0.5937000    
 H   0.7026000      -4.350800     -0.5609000    
 H    2.788400      -4.557500     -0.3972000    
 H   0.3174000       3.044800     -0.3745000    
 H   -5.749500       2.773700     -0.3933000    
 H   -4.377000       3.308600      -1.371600    
 H   -4.394200       3.601300      0.3848000    
 H   -4.484200      -2.767900      0.5487000    
 H   -5.960500      -1.889800      0.3880000    
 H    2.835000       3.571000      -1.435200    
 H    5.770300       2.797000      -1.047200    


%chk=000043860-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043860

0 1
P 3.393410 1.405669 2.063080
O 1.776802 -1.442206 0.892110
O 1.494329 -4.263720 -0.459879
O 3.296509 -3.008679 -1.967028
O 4.208318 0.375594 0.901496
O 2.019820 0.548678 2.513864
O 2.703151 2.641186 1.057826
O 4.371921 1.932127 3.183431
N -0.549689 -1.309861 0.240971
N -0.120563 -0.208673 -2.011659
N -3.619748 1.868651 -0.862997
N -4.191142 1.564138 0.401200
N -1.856649 1.501241 -2.537779
N -4.256948 0.381319 2.402410
C 0.585514 -2.204117 0.408242
C 1.067103 -2.930746 -0.866283
C 2.298262 -2.111132 -1.366002
C 2.907065 -1.505361 -0.082757
C 3.485684 -0.104276 -0.295914
C -0.790029 -0.425363 -0.827246
C -1.551648 -1.110976 1.247310
C -1.942917 0.282531 -0.474827
C -2.430965 -0.116349 0.801035
C -2.481151 1.249744 -1.333713
C -3.632781 0.622439 1.193201
C -0.726912 0.757765 -2.783488
C -4.332453 2.914548 -1.605990
H 0.337232 -2.949192 1.180426
H 0.271054 -2.987861 -1.631103
H 1.949032 -1.330392 -2.065009
H 3.674450 -2.183294 0.331484
H 2.695495 0.609976 -0.600121
H 4.253988 -0.158908 -1.087476
H -1.511496 -1.697060 2.162924
H 2.336680 -4.454909 -0.962837
H 3.221970 -2.987716 -2.952820
H -0.235037 0.969310 -3.738177
H -5.373604 2.601384 -1.792435
H -3.806560 3.067680 -2.560482
H -4.340078 3.851902 -1.024336
H -3.841851 -0.240537 3.088660
H -5.077275 0.930334 2.650445
H 1.818318 -0.293809 1.955331
H 3.192189 3.501920 1.104212


