%chk=000004577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004577

0 1
 P   -2.790000      -1.324000      3.0099999E-02
 P   -4.617200      0.9581000     -0.2980000    
 O   -1.459000     -0.4052000     -2.0000000E-02
 O   -3.968700     -0.3082000      0.4688000    
 O   -2.591900      -2.250200       1.341700    
 O   -3.074200      -2.088400      -1.230400    
 O   -5.352200      0.2870000      -1.571400    
 O   -5.843100       1.382100      0.6662000    
 O    4.252500      -2.501600     -0.3926000    
 O    2.161900      -2.101800      0.1446000    
 O   -3.648600       2.056900     -0.6220000    
 N    1.272000      0.1981000      0.4745000    
 N    3.320800      -1.707600     -0.1236000    
 C   0.1914000       1.121800      0.7857000    
 C   -1.086000      0.3639000       1.110400    
 C    2.555600      0.6064000      0.1768000    
 C    3.588500     -0.3098000     -0.1224000    
 C    2.876000       1.981000      0.1634000    
 C    4.878700      0.1288000     -0.4206000    
 C    4.166300       2.419500     -0.1346000    
 C    5.167500       1.493400     -0.4265000    
 H   0.4557000       1.743100       1.648800    
 H   7.4999998E-03   1.769300     -8.0100000E-02
 H  -0.9278000     -0.3039000       1.963600    
 H   -1.885700       1.067300       1.359000    
 H    1.044800     -0.7868000      0.4614000    
 H    2.132500       2.742900      0.3819000    
 H    5.686700     -0.5600000     -0.6534000    
 H    4.391800       3.481900     -0.1400000    
 H    6.171900       1.835400     -0.6586000    
 H   -2.016300      -3.042000       1.280300    
 H   -5.761200      0.8704000      -2.245600    
 H   -6.351800       2.194600      0.4582000    


%chk=000004577-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004577

0 1
P -2.185154 -0.718498 -1.074706
P -2.092552 0.527924 1.758764
O -1.505124 0.385666 -2.202539
O -1.337840 -0.369663 0.424414
O -1.582690 -2.191227 -1.555717
O -3.758586 -0.625411 -0.825280
O -3.664955 -0.113268 1.798490
O -1.381562 -0.157483 3.136209
O 1.524578 -2.846645 0.658829
O 0.954443 -1.822535 -1.300250
O -1.832618 2.077518 1.605246
N 1.147857 0.768461 -1.502085
N 1.479965 -1.781235 -0.058841
C 0.417169 1.875220 -2.126023
C -1.094742 1.770450 -1.816765
C 1.693137 0.734184 -0.242202
C 1.949536 -0.524236 0.441547
C 2.041132 1.931302 0.468636
C 2.592115 -0.551718 1.715868
C 2.653448 1.882180 1.721478
C 2.952185 0.634806 2.350430
H 0.788931 2.860133 -1.796482
H 0.569523 1.809200 -3.217413
H -1.297924 1.973150 -0.748692
H -1.678319 2.460910 -2.448057
H 0.986118 -0.168257 -1.908408
H 1.833049 2.902255 0.012196
H 2.766126 -1.525739 2.179988
H 2.909157 2.818896 2.227974
H 3.440309 0.612598 3.328510
H -0.543664 -2.267729 -1.495489
H -4.040066 -0.311230 0.862520
H -1.754582 -1.037578 3.403451


