%chk=000005957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005957

0 1
 P    2.426500      -1.685700      -1.603100    
 P    3.968900      0.2041000      4.4599999E-02
 P    2.274700       1.303000       2.195500    
 O   -1.017800      -1.377800      0.9927000    
 O   -4.365200      -2.364100      0.1309000    
 O   -2.575800      -3.966800       1.401500    
 O    1.320800      -1.959100     -0.4537000    
 O    3.721900      -1.149000     -0.8007000    
 O    2.876700      -3.162400      -2.087000    
 O    1.972400     -0.7820000      -2.712400    
 O    2.755600      0.2051000       1.111600    
 O    3.565300       1.383000     -0.9853000    
 O    5.334300      0.3384000      0.6516000    
 O    1.777700       2.534000       1.273500    
 O   0.8978000      0.6865000       2.774900    
 O    3.304600       1.655200       3.228300    
 N   -2.638800      0.2831000      0.4989000    
 N   -3.600700       2.291600      0.3624000    
 N  -0.7069000      0.6511000     -0.9276000    
 N  -0.6820000       2.922300      -1.820400    
 N   -2.383600       4.524200      -1.304800    
 C   -2.989700      -2.124200     -8.5900001E-02
 C   -2.123000      -3.333600      0.2049000    
 C   -2.429400      -1.107200      0.8967000    
 C  -0.7601000      -2.701100      0.4686000    
 C   8.3600000E-02  -2.562700     -0.7909000    
 C   -1.841000       1.032000     -0.3205000    
 C   -3.682800       1.084700      0.8822000    
 C   -2.454100       2.272600     -0.3915000    
 C   -1.831900       3.237700      -1.177100    
 C  -0.1981000       1.667100      -1.658000    
 H   -2.849900      -1.797300      -1.122800    
 H   -2.121200      -4.083100     -0.5917000    
 H   -2.860700      -1.213200       1.899900    
 H  -0.1966000      -3.239700       1.238900    
 H  -0.4109000      -1.940600      -1.542400    
 H   0.2771000      -3.547900      -1.227200    
 H   -4.494300      -2.576500       1.070600    
 H   -3.430700      -4.384700       1.201400    
 H   -4.469200      0.7349000       1.537100    
 H   0.7256000       1.458500      -2.183600    
 H   -3.241800       4.761900     -0.8261000    
 H   -1.913000       5.208000      -1.881700    
 H    2.312800      -3.644300      -2.728900    
 H    4.201500       1.639600      -1.686300    
 H    1.514600       3.374900       1.704700    
 H   0.4457000       1.145200       3.514600    


%chk=000005957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005957

0 1
P 3.274344 -0.241963 -1.385101
P 4.465565 -0.673459 1.572307
P 3.022327 -2.625075 3.601065
O -1.076807 1.252340 0.550119
O -2.938155 -1.784463 1.331082
O -0.573916 -1.322104 2.326468
O 1.688978 -0.737080 -1.022117
O 4.291197 -0.900311 -0.083897
O 3.743164 -1.423857 -2.512688
O 3.508607 1.285764 -1.700093
O 3.761139 -2.220930 2.135411
O 3.206889 0.427528 1.914384
O 5.916659 -0.427231 2.122761
O 2.727523 -1.009704 4.157669
O 1.413421 -3.036615 3.107765
O 3.695588 -3.649588 4.590524
N -3.292917 1.088460 -0.371813
N -5.042845 2.322639 -1.211984
N -2.376581 0.198852 -2.523850
N -3.677177 0.972082 -4.463707
N -5.551977 2.396648 -4.263613
C -2.088661 -0.980356 0.480115
C -0.584401 -1.106548 0.875741
C -2.374024 0.549110 0.627486
C 0.027252 0.253088 0.488532
C 0.583560 0.286800 -0.943268
C -3.252979 0.925241 -1.765465
C -4.381462 1.942330 -0.108369
C -4.342515 1.692035 -2.258938
C -4.538304 1.696455 -3.671100
C -2.667038 0.279448 -3.859271
H -2.250444 -1.300446 -0.560155
H -0.081494 -1.935796 0.345918
H -2.822119 0.747707 1.618872
H 0.799729 0.566231 1.209558
H 0.975388 1.290547 -1.184485
H -0.173003 -0.018222 -1.686447
H -2.441338 -1.841309 2.200241
H 0.172391 -1.931875 2.594943
H -4.636833 2.238413 0.907171
H -2.007659 -0.279469 -4.530009
H -6.196341 2.937825 -3.690768
H -5.645796 2.368573 -5.276852
H 4.639473 -1.815629 -2.345356
H 2.885309 0.348007 2.864877
H 2.479716 -0.899588 5.109099
H 1.225467 -4.008808 3.063639


