%chk=000011228.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011228

1 1
 P    1.053000     -0.6445000     -0.6625000    
 P  -0.9818000      0.6785000      0.9098000    
 O    2.643200     -0.9186000     -0.8377000    
 O   -1.370200     -0.8905000      0.7777000    
 O   -1.497600       1.175900     -0.5460000    
 O   0.5180000      -2.060900     -7.5999998E-02
 O   0.3526000     -0.2421000      -1.933100    
 N   0.8101000      0.5898000      0.5750000    
 C    1.535900      0.1316000       1.828400    
 C    1.385900       1.897500      7.0799999E-02
 C    1.383800       1.184000       2.904900    
 C    2.851700       1.705000     -0.2517000    
 C   -2.738000      -1.212700      0.9830000    
 C   -2.898200       1.366900     -0.6845000    
 C    3.069600      -1.880200      -1.786300    
 C   -2.921900      -2.706800      0.8238000    
 C   -3.196100       1.827300      -2.095500    
 H    2.580400     -0.1032000       1.618500    
 H    1.074300     -0.8070000       2.160800    
 H    1.223700       2.683000      0.8149000    
 H   0.8475000       2.188100     -0.8388000    
 H    1.798300      0.7815000       3.837600    
 H   0.3577000       1.475100       3.138600    
 H    1.966800       2.085600       2.695200    
 H    3.003900       1.270700      -1.242700    
 H    3.469100       1.204000      0.4915000    
 H    3.292700       2.707200     -0.3442000    
 H   0.4506000      -2.829600     -0.6814000    
 H   -3.042200     -0.9261000       1.997800    
 H   -3.458300     -0.8382000      0.2874000    
 H   -3.513500      0.4933000     -0.6397000    
 H   -3.260100       2.116900      2.9100001E-02
 H    2.654500      -1.647500      -2.770300    
 H    2.753500      -2.878600      -1.474200    
 H    4.160400      -1.854300      -1.844900    
 H   -3.959400      -3.000400       1.009600    
 H   -2.640000      -3.025900     -0.1855000    
 H   -2.274600      -3.250400       1.520300    
 H   -4.267000       2.000100      -2.238500    
 H   -2.660000       2.756400      -2.316700    
 H   -2.857000       1.084900      -2.826300    


%chk=000011228-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011228

1 1
P 0.973294 -0.126340 -1.131164
P -1.395285 1.115815 0.792458
O 2.425675 -0.957327 -0.859456
O -1.825286 -0.222379 1.733477
O -1.945838 0.587075 -0.785792
O -0.175256 -1.394215 -1.108801
O 0.856449 0.951656 -2.288003
N 0.730107 0.694295 0.544584
C 1.210271 -0.185959 1.704296
C 1.334912 2.106830 0.512399
C 1.091439 0.491123 3.076229
C 2.867203 2.139714 0.420463
C -2.673929 -1.434909 1.393787
C -2.356214 1.600986 -1.854967
C 2.987453 -1.851115 -1.926870
C -1.864256 -2.708021 1.608095
C -3.494384 0.981540 -2.652436
H 2.253145 -0.472592 1.487704
H 0.595193 -1.100976 1.672130
H 0.983213 2.617184 1.425207
H 0.891010 2.616622 -0.362172
H 1.409460 -0.239220 3.841092
H 0.053980 0.777729 3.320508
H 1.746223 1.372266 3.177333
H 3.238008 1.672442 -0.506980
H 3.352720 1.648795 1.280073
H 3.189445 3.195698 0.411497
H -1.093409 -1.029131 -1.305405
H -3.515367 -1.353976 2.100897
H -3.044485 -1.328049 0.359590
H -2.665730 2.532047 -1.345129
H -1.451054 1.776794 -2.460034
H 3.153631 -1.278780 -2.854336
H 2.306897 -2.701163 -2.094499
H 3.943023 -2.191905 -1.506331
H -2.535988 -3.577158 1.478481
H -1.042915 -2.801119 0.877927
H -1.460045 -2.750900 2.633374
H -3.792241 1.683778 -3.452869
H -3.181787 0.040528 -3.136472
H -4.377983 0.788115 -2.021685


