%chk=000168585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168585

0 1
 P   0.9172000      -2.803500      7.0200004E-02
 P    2.019700     -0.3275000       1.218800    
 P    4.418200      0.5141000     -0.2787000    
 O   -2.138500      -1.054500      0.8568000    
 O   -4.637300      -2.093100      -1.502600    
 O  -0.6286000      -3.270800     -3.0099999E-02
 O   0.8531000      -1.324800      0.7175000    
 O    1.532700      -3.704100       1.264800    
 O    1.682900      -2.877600      -1.218900    
 O    2.985900     -0.2046000     -7.0200004E-02
 O    2.880500      -1.226300       2.250400    
 O    1.545400      0.9845000       1.771000    
 O    4.682300      0.3505000      -1.864900    
 O    4.081700       2.086100     -0.1131000    
 O    5.512900     -4.1999999E-03  0.6068000    
 N   -2.540400       1.281100      0.8815000    
 N   -2.168700       3.463700       1.170700    
 N  -0.8846000      0.8047000     -0.8317000    
 N   0.3719000       2.807900      -1.436000    
 N   0.8019000      0.7416000      -2.452300    
 C   -3.671800      -1.242800     -0.9186000    
 C   -2.657100      -2.006900     -8.5000001E-02
 C   -3.140000     -4.1299999E-02   1.065700    
 C   -4.295700     -0.3314000      0.1151000    
 C   -1.518300      -2.592200     -0.9003000    
 C   -1.530800       1.614400      2.0600000E-02
 C   -2.888300       2.427900       1.549400    
 C   -1.316400       2.969500      0.2155000    
 C  -0.3222000       3.566000     -0.5535000    
 C   5.2400000E-02   1.493700      -1.518900    
 H   -3.193100     -0.6470000      -1.703900    
 H   -3.137700      -2.807400      0.4924000    
 H   -3.464800     -9.2200004E-02   2.111200    
 H   -5.095100     -0.8616000      0.6486000    
 H   -4.750500      0.5612000     -0.3266000    
 H  -0.9769000      -1.813700      -1.445500    
 H   -1.894200      -3.316200      -1.629600    
 H   -4.170900      -2.697200      -2.104700    
 H   -3.670700       2.445500       2.295900    
 H  -5.9400000E-02   4.614000     -0.4941000    
 H    1.802100      -4.627400       1.072200    
 H   0.6174000     -0.2465000      -2.556700    
 H    1.522500       1.198700      -2.993800    
 H    2.536400      -1.368200       3.157900    
 H    5.546800      0.6312000      -2.233900    
 H    4.818900       2.733200     -0.1208000    


%chk=000168585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168585

0 1
P 1.083250 -2.195433 0.020723
P 2.708125 -0.022635 1.752622
P 4.545021 1.147103 -0.646139
O -2.959040 -1.024727 0.937864
O -5.364442 -2.060309 -0.643041
O -0.561241 -2.586774 0.344897
O 1.366302 -0.683222 0.716209
O 1.889314 -3.149980 1.228441
O 1.534092 -2.417813 -1.484175
O 3.995476 -0.022825 0.669125
O 3.015690 -1.309453 2.800243
O 2.211388 1.327659 2.390969
O 3.812409 0.268401 -1.986619
O 3.584669 2.438854 -0.591067
O 6.122905 1.126885 -0.638380
N -2.743452 1.329965 0.531806
N -1.791037 3.010907 1.807144
N -0.889446 0.944890 -1.062224
N 1.049830 2.291974 -0.515964
N 1.097121 0.739470 -2.303472
C -4.009847 -1.736355 -1.105135
C -2.927302 -2.120420 -0.054333
C -3.616531 0.164710 0.337187
C -3.933687 -0.198552 -1.132121
C -1.554791 -2.258987 -0.723455
C -1.486212 1.568454 -0.024688
C -2.852963 2.226804 1.633922
C -0.901133 2.606829 0.786967
C 0.430848 2.921849 0.528250
C 0.406685 1.329479 -1.295439
H -3.813400 -2.191581 -2.097029
H -3.175918 -3.044069 0.499423
H -4.535087 0.360179 0.917537
H -4.893694 0.226407 -1.460394
H -3.130172 0.143870 -1.802775
H -1.275338 -1.310178 -1.217418
H -1.559103 -3.089105 -1.454850
H -5.453823 -3.036262 -0.499913
H -3.744358 2.235344 2.259141
H 1.034101 3.603781 1.129094
H 1.897919 -4.129740 1.103066
H 0.619913 -0.015883 -2.795995
H 2.140583 0.718808 -2.329216
H 2.736119 -2.207212 2.420416
H 4.168126 -0.637335 -2.163069
H 2.152932 2.422726 -0.619535


