%chk=000013804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013804

0 1
 P   -3.659400       1.253400       1.369700    
 P   -3.857700     -0.7985000     -0.7549000    
 O    1.104900       2.696600      0.8126000    
 O   0.2166000       4.071900      -1.699200    
 O    1.602500       1.925900      -2.654100    
 O   -2.478700       2.203200      0.8016000    
 O   -3.172100      -2.280300     -0.6572000    
 O   -3.389000     -0.1869000      0.6851000    
 O    4.527100       1.523700      -1.117800    
 O   -3.264600       1.005600       2.919100    
 O   -5.048100       1.785500       1.164000    
 O   -3.185700     -5.4000001E-03  -1.854800    
 O   -5.361000     -0.9710000     -0.7381000    
 N    2.705400       1.094500      0.2323000    
 N   0.1617000      -3.861400     -0.4733000    
 N    4.694300     -0.2716000      0.2610000    
 N    4.858600      -2.110700       1.674800    
 C  -0.1449000       2.785400      -1.197800    
 C   0.9982000       1.809800      -1.382300    
 C  -0.2399000       2.882400      0.3188000    
 C    1.934000       2.203500     -0.2524000    
 C   -1.124800       1.808200      0.9365000    
 C   -1.280100      -3.745300     -0.8080000    
 C    2.153700      0.2741000       1.204200    
 C    4.008000      0.8155000     -0.2530000    
 C   0.7039000      -5.240800     -0.8716000    
 C   0.3873000      -3.676500       1.033500    
 C   0.9802000      -2.794800      -1.213300    
 C   -1.786800      -2.384300     -0.3730000    
 C    2.796700     -0.7765000       1.710100    
 C    4.159700      -1.035200       1.177400    
 H   -1.066600       2.475000      -1.698200    
 H   0.6314000      0.7829000      -1.267400    
 H  -0.5755000       3.875300      0.6394000    
 H    2.610600       3.010100     -0.5594000    
 H  -0.8944000       1.700800       2.002000    
 H  -0.9753000      0.8318000      0.4659000    
 H  -0.5311000       4.670400      -1.530200    
 H    2.373700       1.333800      -2.665500    
 H   -1.408500      -3.888500      -1.887800    
 H   -1.828000      -4.548800     -0.3006000    
 H    1.154700      0.4865000       1.556300    
 H   0.1397000      -5.999300     -0.3213000    
 H   0.5629000      -5.362300      -1.949500    
 H    1.766200      -5.289800     -0.6147000    
 H  -0.3037000      -4.333200       1.569800    
 H    1.421800      -3.956000       1.257700    
 H   0.2404000      -2.629900       1.308700    
 H   0.7220000      -2.836100      -2.275400    
 H   0.7765000      -1.808200     -0.7923000    
 H    2.041600      -3.024400      -1.074100    
 H   -1.690000      -2.224300      0.7027000    
 H   -1.280700      -1.570500     -0.8969000    
 H    2.371000      -1.423900       2.465000    
 H   -3.909600      0.5579000       3.507000    
 H    5.791700      -2.325100       1.339900    
 H    4.470100      -2.722800       2.384700    


%chk=000013804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013804

0 1
P -3.826137 1.683938 1.116582
P -3.856159 -0.639339 -1.212630
O 1.222646 2.222247 0.779709
O -0.244569 0.282987 -1.429129
O 1.257438 -1.419851 0.157124
O -2.472937 2.729973 0.893407
O -3.441342 -2.268971 -0.593036
O -3.478911 0.192470 0.359013
O 3.760080 -1.106058 0.701766
O -3.517237 1.194177 2.752865
O -5.184528 2.410342 0.788888
O -2.639907 -0.216839 -2.199390
O -5.394092 -0.592185 -1.571893
N 3.075795 0.959763 1.572140
N -0.361865 -3.589131 -2.469773
N 5.120028 -0.099710 2.314632
N 6.435635 0.880877 3.953838
C -0.329272 0.499710 -0.001515
C 0.889090 -0.140856 0.719854
C -0.203598 2.004456 0.343227
C 1.961013 0.980495 0.571462
C -1.127468 2.490722 1.470728
C -1.837943 -3.303522 -2.081435
C 3.261360 1.993644 2.466036
C 4.013226 -0.140673 1.508236
C -0.368325 -4.607687 -3.600882
C 0.419212 -4.147080 -1.281700
C 0.322496 -2.305405 -2.956803
C -2.036575 -2.673081 -0.686112
C 4.355153 2.010207 3.313066
C 5.297973 0.925349 3.187252
H -1.277525 0.100753 0.402956
H 0.655076 -0.234674 1.804085
H -0.374683 2.609908 -0.562442
H 2.411333 0.935142 -0.441075
H -0.797417 3.477902 1.835622
H -1.183473 1.782568 2.317330
H -1.209823 0.201036 -1.804904
H 2.274718 -1.484750 0.277747
H -2.228725 -2.602138 -2.838179
H -2.378983 -4.263501 -2.143153
H 2.504194 2.778415 2.438446
H -0.761613 -5.565802 -3.226509
H -1.010147 -4.232995 -4.413120
H 0.660429 -4.741260 -3.970486
H -0.138824 -4.993141 -0.850067
H 1.401118 -4.491982 -1.644612
H 0.566601 -3.338921 -0.545013
H -0.215883 -1.947158 -3.848652
H 0.297302 -1.527226 -2.169309
H 1.366194 -2.554801 -3.209810
H -1.893270 -3.407388 0.124135
H -1.340629 -1.830779 -0.540814
H 4.494978 2.829970 4.019756
H -4.005922 0.373198 3.014517
H 7.069854 0.094413 3.820068
H 6.655741 1.603642 4.633655


