%chk=000017529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017529

1 1
 P    1.322900     -1.6300000E-02 -0.6870000    
 O  -0.2094000     -0.1007000      -1.200700    
 O    1.397800       1.458400     -1.9800000E-02
 O    1.384800      -1.033800      0.5730000    
 O    2.355500     -0.2768000      -1.746800    
 N   -3.701500      0.2947000      5.4400001E-02
 C   -2.594100      5.4000001E-03 -0.9487000    
 C   -3.639000     -0.7206000       1.186200    
 C   -3.520600       1.696200      0.6196000    
 C   -5.052400      0.1981000     -0.6399000    
 C   -1.249500      0.1330000     -0.2604000    
 C    2.590600       1.838900      0.6444000    
 C    1.211800      -2.426300      0.3724000    
 C    3.748400       1.794100     -0.3411000    
 C    2.409800       3.225300       1.243600    
 C    2.294400      -2.935100     -0.5672000    
 C    1.250500      -3.134600       1.718000    
 H   -2.744000      -1.003600      -1.351100    
 H   -2.685200      0.7164000      -1.778800    
 H   -3.596500      -1.725400      0.7557000    
 H   -2.774300     -0.5241000       1.824600    
 H   -4.547400     -0.6113000       1.787600    
 H   -3.369100       2.394200     -0.2090000    
 H   -4.433300       1.959700       1.164300    
 H   -2.683400       1.717700       1.321500    
 H   -5.161600     -0.8132000      -1.042500    
 H   -5.838800      0.4037000      9.2399999E-02
 H   -5.079700      0.9374000      -1.445900    
 H   -1.088800       1.134500      0.1419000    
 H   -1.132700     -0.5947000      0.5441000    
 H    2.778400       1.133700       1.462000    
 H   0.2291000      -2.599400     -7.9899997E-02
 H    4.610200       2.350100      4.4300001E-02
 H    4.096800      0.7696000     -0.4982000    
 H    3.471000       2.216500      -1.312500    
 H    3.301300       3.543800       1.792100    
 H    1.555400       3.235400       1.929000    
 H    2.194900       3.962800      0.4625000    
 H    2.355300      -4.028400     -0.5386000    
 H    2.076300      -2.667000      -1.604700    
 H    3.276700      -2.525200     -0.3098000    
 H    1.093800      -4.211800       1.608000    
 H   0.4757000      -2.734400       2.380800    
 H    2.210300      -2.967700       2.219300    


%chk=000017529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017529

1 1
P 1.121008 -0.438606 -0.843007
O -0.616096 -0.398561 -1.061287
O 1.278960 1.086120 -0.074141
O 1.365304 -1.519847 0.473167
O 1.851104 -0.769486 -2.205303
N -4.020627 0.677271 0.128882
C -2.837577 0.124482 -0.701120
C -4.218790 -0.141125 1.404314
C -3.789018 2.144748 0.489551
C -5.282454 0.572144 -0.731683
C -1.482685 0.071701 0.024785
C 2.653215 1.553037 0.392882
C 2.009931 -2.882209 0.225091
C 3.490177 1.986137 -0.816032
C 2.350521 2.677826 1.381700
C 3.526092 -2.708382 0.092565
C 1.576068 -3.722259 1.426278
H -3.118721 -0.890564 -1.028487
H -2.738914 0.766810 -1.592100
H -4.304980 -1.205240 1.136936
H -3.360497 0.007935 2.074689
H -5.140151 0.195751 1.903721
H -3.624432 2.718492 -0.435069
H -4.677537 2.526389 1.015487
H -2.908057 2.230136 1.141039
H -5.470202 -0.486371 -0.966769
H -6.135265 0.989767 -0.174973
H -5.129479 1.137973 -1.663054
H -1.138048 1.059658 0.381330
H -1.469120 -0.652395 0.861575
H 3.122298 0.694981 0.914384
H 1.584840 -3.281786 -0.715896
H 4.487339 2.320010 -0.475535
H 3.630731 1.159044 -1.533420
H 3.005069 2.826014 -1.342764
H 3.296775 3.079025 1.786941
H 1.739815 2.312531 2.224656
H 1.816124 3.501886 0.877705
H 4.004104 -3.697948 -0.024427
H 3.782081 -2.104181 -0.794663
H 3.942389 -2.232331 0.998102
H 1.989828 -4.742519 1.334043
H 0.476979 -3.797327 1.484353
H 1.952295 -3.279530 2.364653


