%chk=000008629.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008629

0 1
 P   -1.775100       2.310300      -1.836700    
 P  -0.7677000       3.418200      0.6960000    
 O    3.116500      0.5022000       1.643800    
 O   -1.967400     -0.1488000      0.7945000    
 O    4.505200       2.681200      0.1227000    
 O    3.928500      0.8665000      -1.829900    
 O   -2.580500       1.110400      -1.118400    
 O   0.7139000       3.222200       1.315400    
 O   -3.928500      -3.093600      -1.334400    
 O   -5.166300      -1.968700       1.001000    
 O   -2.269600      -1.171000      -2.722600    
 O  -0.6426000       2.742200     -0.7670000    
 O   -2.379400      -1.515900       3.172500    
 O    4.766300      -2.222700     -0.9527000    
 O  -0.9234000       1.586800      -3.006600    
 O  -0.8430000       4.999000      0.3607000    
 O   -2.638800       3.443400      -2.310000    
 O   -1.897800       2.893100       1.532200    
 O    1.195300      -5.012200     -0.1097000    
 N    2.953900      -1.364600      0.2463000    
 N    2.986700      -3.610100     -0.5325000    
 C    3.153500       2.232600      2.6400000E-02
 C    3.092100      0.9012000     -0.6919000    
 C    2.681100       1.862200       1.425800    
 C    3.540700     -6.3100003E-02  0.3927000    
 C   -3.688700      -1.763300     -0.8694000    
 C   -3.798500      -1.761300      0.6566000    
 C   -2.292800      -1.325000      -1.308000    
 C   -3.295000     -0.4374000       1.247400    
 C   -1.869000     -2.3399999E-02 -0.6257000    
 C    1.167000       1.906400       1.581400    
 C   -3.247700     -0.4717000       2.772600    
 C    3.652200      -2.379800     -0.4486000    
 C    1.700400      -1.625500      0.7876000    
 C    1.078800      -2.803200      0.6994000    
 C    1.739700      -3.916800     -1.0600000E-02
 H    2.577900       3.017200     -0.4724000    
 H    2.063800      0.6917000      -1.011500    
 H    3.149300       2.496400       2.187200    
 H    4.633400     -0.1542000      0.4153000    
 H   -4.460000      -1.133100      -1.327100    
 H   -3.231000      -2.609800       1.056300    
 H   -1.579900      -2.119300      -1.053300    
 H   -3.960200      0.3866000      0.9585000    
 H  -0.8048000      0.1240000     -0.8400000    
 H   0.8759000       1.626000       2.599200    
 H   0.6747000       1.206000      0.9030000    
 H   -2.845600      0.4680000       3.164900    
 H   -4.239300     -0.6460000       3.201000    
 H    4.498800       3.519600      0.6154000    
 H    3.643700       1.581900      -2.423600    
 H    1.200400     -0.8270000       1.315300    
 H   -3.246500      -3.674700     -0.9566000    
 H   -5.677200      -1.209300      0.6724000    
 H   -1.375100     -0.8817000      -2.971000    
 H    3.470100      -4.354300      -1.027700    
 H   0.1007000      -2.969500       1.134200    
 H   -2.359300      -1.515900       4.144700    
 H  -0.4564000       2.142600      -3.666300    
 H  -0.1482000       5.396500     -0.2062000    


%chk=000008629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000008629

0 1
P -2.199139 3.292854 -1.559361
P -0.760017 3.778434 1.235255
O 2.925177 0.257913 1.400480
O -1.373548 0.436430 0.116734
O 3.131242 1.705870 -1.448765
O 1.708340 -0.506108 -2.032194
O -2.622191 1.638093 -1.539203
O 0.872525 3.374596 1.545820
O -3.610580 -2.591303 -1.783224
O -4.203991 -1.860099 0.927810
O -2.357004 -0.566748 -3.384749
O -0.846964 3.403189 -0.447567
O -1.043273 -0.966255 2.518496
O 4.789253 -2.661635 -0.163822
O -1.290497 3.346541 -3.014155
O -0.653902 5.477745 1.138114
O -3.372718 4.321005 -1.346279
O -1.872819 3.160793 2.180226
O 2.220324 -5.903609 2.009557
N 2.671669 -2.019205 0.677549
N 3.458288 -4.239328 0.933137
C 2.018512 1.460554 -0.516164
C 1.741278 -0.054195 -0.656709
C 2.432680 1.599075 0.963741
C 2.877201 -0.652455 0.215082
C -3.262760 -1.262762 -1.274721
C -2.991659 -1.439345 0.226531
C -2.016670 -0.707362 -1.974300
C -2.582428 -0.086895 0.838164
C -1.568054 0.611149 -1.300779
C 1.246425 1.956539 1.873289
C -2.250490 -0.132718 2.320246
C 3.724417 -2.957283 0.440429
C 1.511083 -2.380695 1.366650
C 1.295642 -3.653470 1.830101
C 2.295551 -4.700237 1.632433
H 1.151078 2.097889 -0.762179
H 0.761413 -0.300372 -0.220511
H 3.247575 2.334528 1.090813
H 3.845333 -0.633426 -0.315827
H -4.106109 -0.557021 -1.424881
H -2.181429 -2.185053 0.363298
H -1.170614 -1.415038 -1.841322
H -3.411144 0.634810 0.700973
H -0.605406 0.962230 -1.706070
H 1.553009 1.943414 2.931129
H 0.394731 1.269604 1.720854
H -2.075876 0.896290 2.685752
H -3.125698 -0.578018 2.831195
H 3.283080 2.675507 -1.558766
H 2.463404 -0.053774 -2.498254
H 0.770025 -1.593324 1.540252
H -3.727580 -2.521123 -2.765232
H -4.579873 -2.629557 0.426470
H -1.534170 -0.439208 -3.920191
H 4.195118 -4.933049 0.769227
H 0.375168 -3.911079 2.354013
H -0.966599 -1.198464 3.476449
H -1.044741 4.256082 -3.322626
H -1.046398 5.960584 1.909579


