%chk=000115296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115296

0 1
 P    4.493700      0.1655000     -0.6077000    
 O   0.8326000     -0.4499000       1.608500    
 O    3.270300     -0.8436000     -0.9737000    
 O    4.347600      0.4788000      0.9804000    
 O    1.450800      -2.878600     -0.3951000    
 O    4.089600       1.562200      -1.320100    
 O    5.849400     -0.3410000      -1.009500    
 N   -1.180000     -0.4991000      0.3353000    
 N   -3.304200     -9.4099998E-02 -0.2187000    
 N  -0.3275000       1.775300      0.3927000    
 N   -2.595400      -2.367100      0.1088000    
 N   -2.072800       3.393000     -0.1484000    
 N   -4.316900       2.739000     -0.6607000    
 N   -3.773500      -2.754000     -0.1574000    
 N   -4.841800      -3.073700     -0.4007000    
 C    2.028500     -0.5414000     -0.3791000    
 C    2.174300     -0.4976000       1.127600    
 C   0.9246000      -1.562200     -0.5339000    
 C   3.5599999E-02  -1.236400      0.6815000    
 C    3.047100      0.6706000       1.539700    
 C   -1.291100      0.8588000      0.2162000    
 C   -2.417200      -1.025400      6.3400000E-02
 C   -2.613900       1.088500     -0.1269000    
 C   -2.995100       2.413900     -0.3103000    
 C  -0.8148000       3.018400      0.1881000    
 H    1.671600      0.4179000     -0.7710000    
 H    2.645200      -1.420900       1.493900    
 H   0.4191000      -1.503300      -1.502400    
 H  -0.2725000      -2.138600       1.221800    
 H    2.639400       1.630500       1.206000    
 H    3.137500      0.7193000       2.629300    
 H   0.7005000      -3.495900     -0.4356000    
 H    3.233500       1.988700      -1.104300    
 H  -0.1026000       3.827600      0.3092000    
 H   -5.007100       2.010300     -0.7824000    
 H   -4.569100       3.709600     -0.7886000    


%chk=000115296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115296

0 1
P 4.002851 0.903792 -0.517341
O 0.749616 -1.191590 1.621130
O 3.294106 -0.673121 -1.025214
O 4.025783 0.655416 1.221435
O 1.520889 -3.202512 -0.576380
O 2.757189 2.030856 -0.810358
O 5.406462 1.223260 -1.139732
N -1.047364 -0.593949 0.105055
N -3.238982 0.163331 0.026447
N 0.063929 1.661619 -0.380694
N -2.791456 -2.211151 0.498510
N -1.582193 3.458655 -0.678451
N -3.905123 3.070143 -0.528279
N -4.019911 -2.507758 0.623004
N -5.092303 -2.975888 0.769736
C 2.022863 -0.762414 -0.311796
C 2.163197 -0.954326 1.212022
C 1.026561 -1.841022 -0.718466
C -0.007990 -1.613842 0.422411
C 2.728174 0.311880 1.877131
C -0.989398 0.800181 -0.169537
C -2.427657 -0.888722 0.216923
C -2.350150 1.219118 -0.211462
C -2.631041 2.591597 -0.474036
C -0.324540 2.960787 -0.624579
H 1.454237 0.166661 -0.463112
H 2.772485 -1.844373 1.450420
H 0.584959 -1.668572 -1.718518
H -0.547421 -2.545147 0.652768
H 2.011183 1.150569 1.789718
H 2.995528 0.158197 2.932626
H 2.365524 -3.288410 -1.088630
H 1.765537 1.806384 -0.611558
H 0.487349 3.673068 -0.798694
H -4.693280 2.442610 -0.377663
H -4.054212 4.059773 -0.718935


