%chk=000122041.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122041

0 1
 P    2.376900      -2.563100     -0.7515000    
 O    1.388700       1.923100       1.010800    
 O    1.379100      -1.523900     -8.1000002E-03
 O    3.235700     -0.4198000       1.640900    
 O    2.918500       3.991100     -0.1054000    
 O    2.118700      -2.283300      -2.323200    
 O    1.663200      -3.993300     -0.5062000    
 O    3.810100      -2.486500     -0.3131000    
 O   -4.910100      0.9514000      -1.223000    
 N  -0.5974000      0.9652000      0.1345000    
 N   -2.003000     -0.8306000      0.9806000    
 N   -2.157200       2.000500      -1.105200    
 N   -4.275400     -0.7581000      0.2076000    
 N   -3.508800      -2.445600       1.663700    
 C    1.632300     -0.1390000     -0.1281000    
 C   0.6999000      0.6860000      0.7459000    
 C    2.989400      0.2655000      0.4131000    
 C    2.792500       1.749000      0.7088000    
 C    3.143400       2.641500     -0.4734000    
 C   -1.751500      0.2705000      0.2678000    
 C  -0.8947000       2.011100     -0.7114000    
 C   -2.693200      0.9056000     -0.4879000    
 C   -4.048700      0.3966000     -0.5517000    
 C   -3.308300      -1.313900      0.9144000    
 H    1.539000      0.1559000      -1.180500    
 H   0.5009000      0.2018000       1.709600    
 H    3.820200      6.2799998E-02 -0.2680000    
 H    3.346000       2.073500       1.597300    
 H    2.522800       2.428100      -1.349200    
 H    4.195500       2.531200     -0.7520000    
 H    4.088900     -0.1030000       1.983500    
 H  -0.1563000       2.743100      -1.009300    
 H   -1.304600      -1.308500       1.540500    
 H    1.981900       4.075100      0.1426000    
 H    2.673200      -2.748500      -2.985200    
 H    2.128100      -4.810000     -0.7871000    
 H   -2.758200      -2.863500       2.202400    
 H   -4.416400      -2.896800       1.700000    


%chk=000122041-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122041

0 1
P 1.927477 -2.753401 -0.117453
O 1.424601 2.294614 0.371100
O 1.126681 -1.321191 0.345917
O 3.572164 -0.230669 1.274345
O 3.503668 4.284062 0.011946
O 1.479935 -2.810266 -1.757933
O 0.860979 -3.862265 0.635321
O 3.474121 -2.888115 0.234709
O -5.298844 0.754810 -0.559298
N -0.693871 1.274094 0.165912
N -1.664656 -1.016887 0.450703
N -2.621223 2.368115 -0.415470
N -4.040189 -1.153481 -0.000353
N -2.807173 -3.078553 0.540709
C 1.505072 0.015348 -0.167958
C 0.679680 1.065811 0.621676
C 2.996882 0.429577 0.117741
C 2.880228 1.938909 0.475574
C 3.633203 2.902058 -0.440613
C -1.725614 0.337114 0.171842
C -1.312072 2.509802 -0.194752
C -2.905827 1.004235 -0.188854
C -4.178838 0.254724 -0.272688
C -2.883934 -1.714811 0.314625
H 1.268238 0.071582 -1.245328
H 0.696825 0.798506 1.701268
H 3.608505 0.260507 -0.792111
H 3.199283 2.065164 1.526586
H 3.277117 2.782184 -1.486913
H 4.713238 2.681705 -0.397385
H 3.872232 -1.154241 1.033328
H -0.736511 3.426360 -0.264955
H -0.763301 -1.476501 0.621901
H 2.540642 4.517548 0.041411
H 1.900439 -3.509125 -2.320757
H 1.249572 -4.358763 1.401235
H -1.923690 -3.567365 0.671697
H -3.673941 -3.599995 0.437775


