%chk=000126799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126799

0 1
 P    5.250400       1.583700      0.3483000    
 O   0.3162000      -3.183600      0.8400000    
 O    2.488600      -3.169000     -0.7631000    
 O    3.913200      0.7226000      0.6503000    
 O    5.025400       2.126400      -1.158400    
 O    6.381600      0.4423000      0.1674000    
 O    5.570100       2.636900       1.368600    
 O   -5.227900       1.538900      -1.652400    
 N   -1.285200     -0.2622000     -0.3805000    
 N   -2.461700      0.6107000      -2.077000    
 N   -2.994300     -6.0100000E-02   1.337100    
 N   -5.054600      0.9067000      0.5707000    
 N   -4.755600      0.2237000       2.806700    
 C  -0.1653000     -0.8662000      0.3397000    
 C    2.264800     -0.9543000      0.2288000    
 C    1.096300      2.3800001E-02  0.3662000    
 C   0.2856000      -2.233600     -0.2255000    
 C    1.705700      -1.991700     -0.7428000    
 C    3.541700     -0.2925000     -0.2664000    
 C   -2.502700      7.0100002E-02  0.1023000    
 C   -1.304800      8.4899999E-02  -1.710900    
 C   -3.212400      0.6004000     -0.9352000    
 C   -4.572600       1.059000     -0.7354000    
 C   -4.302600      0.3829000       1.521400    
 H  -0.5002000     -0.9986000       1.375800    
 H    2.468300      -1.413500       1.206100    
 H    1.156600      0.5949000       1.299400    
 H    1.098600      0.7496000     -0.4561000    
 H  -0.3636000      -2.638100      -1.008700    
 H    1.670200      -1.577500      -1.758200    
 H    3.389500      0.1496000      -1.256700    
 H    4.343900      -1.033900     -0.3383000    
 H  -0.5981000      -3.299100       1.150600    
 H    2.023600      -3.817800      -1.318300    
 H  -0.4550000     -6.8499997E-02  -2.362200    
 H   -2.473900     -0.4531000       2.114100    
 H   -4.168600     -0.1795000       3.528700    
 H   -5.692700      0.5070000       3.071600    
 H    5.685400       2.740400      -1.545100    
 H    7.318100      0.7147000      6.3199997E-02


%chk=000126799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126799

0 1
P 5.672780 1.247797 -0.845401
O -0.800802 -2.293508 1.216785
O 1.704304 -2.641391 1.748546
O 4.239570 0.802458 -0.029194
O 5.231417 0.759707 -2.427390
O 6.835045 0.013970 -0.480071
O 6.142803 2.728285 -0.564941
O -5.670631 1.865216 -1.090141
N -1.253176 0.662667 -0.056488
N -2.567686 2.237347 -1.087359
N -3.079905 -0.854858 0.733722
N -5.311243 -0.114961 0.129778
N -4.998031 -2.104050 1.322645
C -0.069920 0.034271 0.553078
C 2.299717 -0.487767 0.519755
C 1.274314 0.548313 -0.012913
C 0.025679 -1.500753 0.310660
C 1.548230 -1.850307 0.505899
C 3.616694 -0.531322 -0.254146
C -2.581229 0.267927 0.095713
C -1.314704 1.885827 -0.783249
C -3.386622 1.227656 -0.539138
C -4.856300 1.068416 -0.550280
C -4.483752 -0.979249 0.699762
H -0.096673 0.200973 1.651890
H 2.538387 -0.220942 1.572274
H 1.524967 1.570889 0.307651
H 1.250476 0.533594 -1.119768
H -0.287018 -1.726015 -0.725137
H 1.896667 -2.519212 -0.297926
H 3.454005 -0.678445 -1.337699
H 4.294782 -1.316924 0.129961
H -0.162001 -2.768154 1.828764
H 2.099606 -2.082368 2.463662
H -0.420987 2.444560 -1.047642
H -2.434744 -1.576173 1.108441
H -4.418129 -2.806964 1.771970
H -6.008883 -2.209074 1.297171
H 5.926974 0.846155 -3.125660
H 7.528018 0.292808 0.172215


