%chk=000060647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060647

0 1
 P  -0.5789000      0.1182000      0.4926000    
 O   0.7152000     -0.8609000      0.3324000    
 O  -0.8340000      0.4249000       1.951000    
 O    2.285600      0.2445000       1.543100    
 N   -1.835600     -0.7176000     -0.2439000    
 N  -0.2587000       1.447600     -0.4735000    
 N    2.937900      -1.216700     -0.1482000    
 C   -2.128400      -2.061200      0.2633000    
 C   -3.098600      4.9000001E-03 -0.4250000    
 C   0.1482000       1.221500      -1.861900    
 C   0.5282000       2.543900      8.9900002E-02
 C   -3.005100      -2.835200     -0.7066000    
 C   -3.854400      0.1267000      0.8874000    
 C  -7.3299997E-02   2.463700      -2.708100    
 C   0.1386000       2.814100       1.533200    
 C    2.005400     -0.5465000      0.6463000    
 C    4.375000      -1.029300      2.3600001E-02
 C    2.533000      -2.142600      -1.195600    
 H   -1.180000      -2.608200      0.3295000    
 H   -2.534900      -2.068900       1.279500    
 H   -2.886500       1.013100     -0.7989000    
 H   -3.729400     -0.4421000      -1.200100    
 H    1.192800      0.8963000      -1.924600    
 H  -0.4581000      0.4164000      -2.291000    
 H    1.603600       2.342600      3.5000000E-02
 H   0.3361000       3.477600     -0.4478000    
 H   -4.051600      -2.517600     -0.6764000    
 H   -2.639200      -2.756800      -1.736200    
 H   -2.993500      -3.898000     -0.4394000    
 H   -4.269100     -0.8234000       1.235700    
 H   -3.259500      0.5698000       1.688300    
 H   -4.712500      0.7928000      0.7376000    
 H  -2.0999999E-03   2.198400      -3.769100    
 H   0.6833000       3.234000      -2.530100    
 H   -1.067800       2.893800      -2.547000    
 H   0.5084000       3.810200       1.809200    
 H   0.6195000       2.134900       2.240200    
 H  -0.9460000       2.849700       1.679600    
 H    4.584900     -0.3207000      0.8288000    
 H    4.830100      -1.993800      0.2658000    
 H    4.794600     -0.6459000     -0.9106000    
 H    1.450200      -2.245900      -1.288200    
 H    2.930400      -1.782800      -2.149500    
 H    2.959700      -3.125600     -0.9749000    


%chk=000060647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060647

0 1
P -0.346000 0.143667 0.610363
O 0.816312 -1.090986 -0.075442
O -0.155495 0.286166 2.186901
O 2.626002 0.399826 0.100610
N -1.757643 -0.617126 -0.056137
N -0.227327 1.646134 -0.236651
N 2.977204 -1.891130 -0.269343
C -1.886645 -2.098454 -0.080117
C -3.028717 0.157490 -0.050964
C -0.168853 1.638095 -1.722562
C 0.472418 2.759736 0.473660
C -1.907500 -2.654621 -1.517689
C -3.745246 0.196758 1.318908
C -0.925800 2.824179 -2.349813
C -0.505466 3.764318 1.110788
C 2.192122 -0.775863 -0.060389
C 4.438309 -1.728873 -0.320013
C 2.446346 -3.250836 -0.436450
H -1.051970 -2.548498 0.483814
H -2.816214 -2.381043 0.453619
H -2.805615 1.186734 -0.383320
H -3.685036 -0.297625 -0.817806
H 0.893881 1.653006 -2.046363
H -0.610938 0.687133 -2.072465
H 1.131840 2.332337 1.248996
H 1.133074 3.255472 -0.262207
H -2.723556 -2.200068 -2.108760
H -0.950824 -2.434241 -2.022127
H -2.061981 -3.750696 -1.510019
H -3.995195 -0.818830 1.676115
H -3.101733 0.673872 2.079090
H -4.687195 0.771733 1.242844
H -0.858711 2.770602 -3.452404
H -0.496760 3.791304 -2.033252
H -1.992222 2.810151 -2.062977
H 0.055762 4.590551 1.587511
H -1.107615 3.266581 1.891012
H -1.191623 4.196720 0.360949
H 4.682272 -0.667891 -0.162710
H 4.920617 -2.333384 0.472065
H 4.833480 -2.053870 -1.302012
H 1.351430 -3.228658 -0.363047
H 2.734568 -3.659526 -1.424956
H 2.849743 -3.920446 0.348149


