%chk=000130927.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130927

0 1
 P   -2.060400       4.173100     -0.8355000    
 P   0.2091000       4.803600      0.9269000    
 O   0.4114000      0.6663000      -1.146100    
 O  -0.9110000      -2.030900     -0.8467000    
 O   -1.491700       2.709500      -1.225500    
 O   -2.352600     -0.5627000       1.892100    
 O   -1.342600       4.527400      0.5691000    
 O   -3.598400       3.908200     -0.4092000    
 O   -1.883800       5.219200      -1.897700    
 O    6.207800      -2.781000      -1.479400    
 O   0.5322000       6.182200      0.1477000    
 O   0.1533000       5.250400       2.479100    
 O    1.134400       3.662700      0.6224000    
 N    2.284200     -0.6998000     -0.6372000    
 N    4.055200     -0.3949000       1.001800    
 N    3.416700      -2.022800      -2.053100    
 N   -3.277300      -3.452300       2.013300    
 N    6.101100      -1.535500      0.4723000    
 N    5.868500     -0.2379000       2.426300    
 C   -1.017100     -0.8585000     -4.9400002E-02
 C  -0.9878000      0.3875000     -0.9278000    
 C   0.2309000     -0.7274000      0.7985000    
 C    1.179400      8.3999999E-02 -8.0499999E-02
 C   -1.600600       1.638400     -0.3031000    
 C   -2.259100      -1.045100      0.7658000    
 C    3.523900     -0.8770000     -0.1247000    
 C   -3.390900      -1.827500      0.1932000    
 C    2.265900      -1.417200      -1.812400    
 C    4.205300      -1.681600     -0.9905000    
 C   -3.861600      -2.983800      0.8154000    
 C   -3.981400      -1.382000     -0.9894000    
 C    5.577400      -2.059000     -0.7163000    
 C    5.374600     -0.7621000       1.258600    
 C   -4.922900      -3.694700      0.2547000    
 C   -5.042500      -2.093100      -1.549900    
 C   -5.513300      -3.249300     -0.9280000    
 C   -3.236200      -4.836500       2.365200    
 H   -1.418700      0.2102000      -1.919200    
 H   4.1900001E-02 -0.1508000       1.712100    
 H   0.6583000      -1.687800       1.107700    
 H    1.634900      0.9021000      0.4875000    
 H   -1.078900       1.915300      0.6178000    
 H   -2.659400       1.483400     -7.8599997E-02
 H  -0.7227000      -2.785900     -0.2630000    
 H    1.394000      -1.464200      -2.450500    
 H    3.550700      0.2002000       1.650600    
 H   -3.644000     -0.4773000      -1.484700    
 H   -5.320500      -4.593300      0.7173000    
 H   -5.505100      -1.744200      -2.468600    
 H   -2.615500      -2.836200       2.472600    
 H   -6.341500      -3.800800      -1.363400    
 H   -4.187200       4.677500     -0.2554000    
 H   -2.585000      -4.975900       3.234300    
 H   -4.226600      -5.211200       2.642200    
 H   -2.832700      -5.447200       1.550700    
 H    5.301000      0.3549000       3.022000    
 H    6.817700     -0.4299000       2.727500    
 H    1.452200       6.522500      0.1462000    
 H   0.9946000       5.393900       2.962500    


%chk=000130927-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130927

0 1
P -1.491204 3.568486 1.053067
P 1.540212 3.624434 0.826768
O 0.448846 0.576850 -0.349309
O -0.538488 -2.098425 -1.389050
O -1.923511 2.287697 0.024071
O -2.146402 -2.157190 1.816499
O 0.062373 3.149682 1.718778
O -2.521902 3.274409 2.378780
O -1.452767 5.000770 0.369120
O 6.983767 -1.253462 -1.496096
O 1.270940 2.949210 -0.680387
O 1.409236 5.288319 0.612578
O 2.800915 3.142791 1.656738
N 2.498708 -0.743998 -0.219472
N 4.165047 0.902343 0.693516
N 3.945124 -1.940836 -1.536606
N -4.559332 -3.138576 1.721625
N 6.442203 0.555036 -0.089744
N 5.889518 2.381769 1.287504
C -0.867191 -1.426881 -0.117622
C -0.948251 0.093553 -0.459206
C 0.332903 -1.508034 0.863508
C 1.302497 -0.366477 0.489485
C -1.875024 0.872212 0.489396
C -2.178497 -1.990583 0.534776
C 3.776541 -0.179939 -0.066845
C -3.365494 -2.287089 -0.263688
C 2.676102 -1.812919 -1.155707
C 4.660324 -0.927248 -0.855832
C -4.550528 -2.864255 0.376958
C -3.433877 -1.986753 -1.668190
C 6.104826 -0.602894 -0.868395
C 5.538268 1.241129 0.594942
C -5.706409 -3.132652 -0.430879
C -4.580209 -2.240625 -2.423569
C -5.717892 -2.825112 -1.793800
C -5.689164 -3.734088 2.436208
H -1.255796 0.244290 -1.506639
H -0.038554 -1.379187 1.892463
H 0.825933 -2.490642 0.809539
H 1.600711 0.219318 1.377663
H -1.538237 0.810559 1.539672
H -2.909687 0.500858 0.412187
H -0.681224 -3.074915 -1.292349
H 1.826747 -2.379115 -1.524901
H 3.524530 1.579289 1.150272
H -2.552242 -1.569623 -2.159786
H -6.592953 -3.574347 0.031711
H -4.602751 -1.999911 -3.490294
H -3.691830 -2.876058 2.222439
H -6.617100 -3.035150 -2.383945
H -2.429155 3.886173 3.153255
H -5.415559 -3.846527 3.496930
H -6.594631 -3.098659 2.380676
H -5.944921 -4.735836 2.039858
H 5.187673 2.990911 1.708328
H 6.861200 2.673091 1.222264
H 0.946231 1.946536 -0.679424
H 0.497008 5.573491 0.287761


