%chk=000077473.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077473

0 1
 P   2.3000001E-03  6.0000003E-04 -0.2020000    
 O  -0.8869000       1.166800      0.4891000    
 O    1.451800      0.1818000      0.4910000    
 O  -0.5658000      -1.345300      0.4907000    
 O   2.6000000E-03  5.0000002E-04  -1.705200    
 O   -6.995500       1.064200     -0.9450000    
 O    4.423100       5.518900     -0.9469000    
 O    2.571600      -6.586700     -0.9466000    
 O   -6.945000       2.802100      0.3951000    
 O    5.900900       4.606700      0.3958000    
 O    1.042200      -7.410600      0.3955000    
 N   -6.371700       1.857500     -0.1995000    
 N    4.796800       4.582700     -0.1998000    
 N    1.573600      -6.442300     -0.1998000    
 C   -2.227000       1.335900      0.3206000    
 C    2.273700       1.262700      0.3210000    
 C  -4.0600002E-02  -2.597500      0.3208000    
 C   -2.941900      0.4649000     -0.5015000    
 C    1.874200       2.310700     -0.5019000    
 C    1.067200      -2.775300     -0.5017000    
 C   -2.885500       2.379200      0.9710000    
 C    3.501600       1.305300      0.9736000    
 C  -0.6178000      -3.682200      0.9730000    
 C   -4.973900       1.680600     -2.2700001E-02
 C    3.943500       3.461500     -2.2500001E-02
 C    1.029100      -5.142800     -2.2600001E-02
 C   -4.315400      0.6373000     -0.6733000    
 C    2.711300       3.413100     -0.6742000    
 C    1.603500      -4.051400     -0.6740000    
 C   -4.259000       2.551700      0.7995000    
 C    4.338700       2.407600      0.8015000    
 C  -8.1600003E-02  -4.958300      0.8010000    
 H   -2.474600     -0.3606000      -1.026300    
 H   0.9263000       2.318800      -1.027100    
 H    1.548400      -1.958400      -1.026700    
 H   -2.333100       3.060500       1.612600    
 H    3.812700      0.4863000       1.616000    
 H   -1.483000      -3.542300       1.615100    
 H   -4.840400     -6.0199998E-02  -1.321200    
 H    2.371100       4.216000      -1.323200    
 H    2.469200      -4.158000      -1.322800    
 H   -4.738600       3.375700       1.321500    
 H    5.291600       2.410800       1.324600    
 H  -0.5554000      -5.785200       1.323800    


%chk=000077473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077473

0 1
P -0.017631 0.005033 -0.127648
O -1.074955 1.094053 0.681590
O 1.449854 0.371826 0.690969
O -0.436050 -1.455582 0.680487
O -0.010767 0.006986 -1.713302
O -7.075169 1.769275 -1.459406
O 5.098136 5.191562 -1.430366
O 1.991465 -6.983958 -1.459372
O -7.275451 2.527870 0.684083
O 5.843100 4.975677 0.716400
O 1.533870 -7.508256 0.714493
N -6.588836 2.041033 -0.294916
N 5.078389 4.634090 -0.266197
N 1.556854 -6.686336 -0.280898
C -2.453411 1.274982 0.364053
C 2.307503 1.466836 0.377412
C 0.112000 -2.735188 0.368706
C -3.001850 1.001930 -0.910371
C 2.354619 2.082375 -0.894873
C 0.576006 -3.087051 -0.919881
C -3.228585 1.803608 1.419516
C 3.154762 1.861454 1.436110
C 0.102299 -3.652629 1.442050
C -5.147445 1.776706 -0.065767
C 4.114514 3.529405 -0.042004
C 1.050984 -5.310321 -0.054865
C -4.371496 1.251952 -1.121332
C 3.269546 3.132983 -1.100490
C 1.057872 -4.393708 -1.128027
C -4.593198 2.061627 1.202363
C 4.073205 2.904259 1.224530
C 0.574652 -4.959350 1.228191
H -2.377214 0.616779 -1.722267
H 1.705601 1.745564 -1.709116
H 0.553671 -2.365547 -1.742446
H -2.755349 2.000804 2.384696
H 3.080774 1.350697 2.399484
H -0.270265 -3.331278 2.417951
H -4.841772 1.055077 -2.088085
H 3.342526 3.640905 -2.065494
H 1.428726 -4.712662 -2.105411
H -5.230747 2.469650 1.990481
H 4.747305 3.242061 2.015454
H 0.586257 -5.701895 2.029815


