%chk=000122199.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122199

0 1
 P    2.426500      -1.685700      -1.603100    
 P    3.968900      0.2041000      4.4599999E-02
 P    2.274700       1.303000       2.195500    
 O   -1.017800      -1.377800      0.9927000    
 O   -4.365200      -2.364100      0.1309000    
 O   -2.575800      -3.966800       1.401500    
 O    1.320800      -1.959100     -0.4537000    
 O    3.721900      -1.149000     -0.8007000    
 O    2.876700      -3.162400      -2.087000    
 O    1.972400     -0.7820000      -2.712400    
 O    2.755600      0.2051000       1.111600    
 O    3.565300       1.383000     -0.9853000    
 O    5.334300      0.3384000      0.6516000    
 O    1.777700       2.534000       1.273500    
 O   0.8978000      0.6865000       2.774900    
 O    3.304600       1.655200       3.228300    
 N   -2.638800      0.2831000      0.4989000    
 N   -3.600700       2.291600      0.3624000    
 N  -0.7069000      0.6511000     -0.9276000    
 N  -0.6820000       2.922300      -1.820400    
 N   -2.383600       4.524200      -1.304800    
 C   -2.989700      -2.124200     -8.5900001E-02
 C   -2.123000      -3.333600      0.2049000    
 C   -2.429400      -1.107200      0.8967000    
 C  -0.7601000      -2.701100      0.4686000    
 C   8.3600000E-02  -2.562700     -0.7909000    
 C   -1.841000       1.032000     -0.3205000    
 C   -3.682800       1.084700      0.8822000    
 C   -2.454100       2.272600     -0.3915000    
 C   -1.831900       3.237700      -1.177100    
 C  -0.1981000       1.667100      -1.658000    
 H   -2.849900      -1.797300      -1.122800    
 H   -2.121200      -4.083100     -0.5917000    
 H   -2.860700      -1.213200       1.899900    
 H  -0.1966000      -3.239700       1.238900    
 H  -0.4109000      -1.940600      -1.542400    
 H   0.2771000      -3.547900      -1.227200    
 H   -4.494300      -2.576500       1.070600    
 H   -3.430700      -4.384700       1.201400    
 H   -4.469200      0.7349000       1.537100    
 H   0.7256000       1.458500      -2.183600    
 H   -3.241800       4.761900     -0.8261000    
 H   -1.913000       5.208000      -1.881700    
 H    2.312800      -3.644300      -2.728900    
 H    4.201500       1.639600      -1.686300    
 H    1.514600       3.374900       1.704700    
 H   0.4457000       1.145200       3.514600    


%chk=000122199-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122199

0 1
P 3.275309 -0.240026 -1.383560
P 4.464920 -0.672142 1.574558
P 3.023539 -2.626955 3.601236
O -1.077429 1.252432 0.548970
O -2.936706 -1.785722 1.329730
O -0.572337 -1.322720 2.324792
O 1.689523 -0.735317 -1.023329
O 4.291107 -0.899591 -0.081731
O 3.744029 -1.421556 -2.511736
O 3.510679 1.287842 -1.697183
O 3.764172 -2.220949 2.137196
O 3.204017 0.426631 1.916116
O 5.915086 -0.422284 2.125743
O 2.728286 -1.012305 4.159662
O 1.415268 -3.037765 3.105649
O 3.695445 -3.653008 4.590010
N -3.293813 1.087451 -0.371775
N -5.045242 2.320035 -1.211072
N -2.376395 0.200367 -2.524372
N -3.678056 0.973215 -4.463698
N -5.554539 2.395461 -4.262628
C -2.087849 -0.980807 0.478934
C -0.583436 -1.106320 0.874160
C -2.374018 0.548447 0.626965
C 0.027360 0.253986 0.487533
C 0.584131 0.288547 -0.944074
C -3.253615 0.925297 -1.765535
C -4.383397 1.939726 -0.107701
C -4.344133 1.691026 -2.258463
C -4.539991 1.696108 -3.670608
C -2.667069 0.281404 -3.859725
H -2.249678 -1.300531 -0.561459
H -0.080154 -1.934944 0.343748
H -2.821812 0.746474 1.618607
H 0.799312 0.567370 1.208990
H 0.975898 1.292403 -1.184833
H -0.172288 -0.016100 -1.687540
H -2.439329 -1.843080 2.198542
H 0.174269 -1.932449 2.592634
H -4.639241 2.234671 0.908051
H -2.007155 -0.276453 -4.530820
H -6.199525 2.935485 -3.689392
H -5.648414 2.367894 -5.275873
H 4.642706 -1.809394 -2.347952
H 2.882466 0.347052 2.866484
H 2.480325 -0.903372 5.111188
H 1.226674 -4.009834 3.061961


