%chk=000006529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006529

0 1
 P   2.4999999E-03  3.0000001E-04 -0.2635000    
 O  -0.9718000       1.096600      0.4276000    
 O    1.434300      0.2899000      0.4296000    
 O  -0.4633000      -1.384400      0.4291000    
 O   2.7000001E-03  1.9999999E-04  -1.766600    
 C   -2.320600       1.164800      0.2591000    
 C    2.172500       1.429500      0.2594000    
 C   0.1543000      -2.593700      0.2591000    
 C   -5.085500       1.303300     -8.6400002E-02
 C    3.672200       3.747300     -8.6599998E-02
 C    1.411300      -5.051600     -8.6599998E-02
 C   -2.967900      0.2425000     -0.5632000    
 C    1.694700       2.444200     -0.5637000    
 C    1.272400      -2.687400     -0.5635000    
 C   -3.055900       2.156400      0.9088000    
 C    3.394300       1.564500      0.9112000    
 C  -0.3402000      -3.719100      0.9104000    
 C   -4.350400      0.3119000     -0.7360000    
 C    2.446600       3.606100     -0.7372000    
 C    1.902400      -3.919700     -0.7369000    
 C   -4.438300       2.225600      0.7359000    
 C    4.146000       2.726500      0.7376000    
 C   0.2899000      -4.951500      0.7371000    
 C   -6.563200       1.377300     -0.2710000    
 C    4.475900       4.989500     -0.2719000    
 C    2.085000      -6.368900     -0.2718000    
 H   -2.440400     -0.5463000      -1.087300    
 H   0.7486000       2.381200      -1.088500    
 H    1.691700      -1.836700      -1.087600    
 H   -2.556900       2.877200       1.550800    
 H    3.767000      0.7716000       1.553400    
 H   -1.213000      -3.645200       1.552900    
 H   -4.844000     -0.4134000      -1.377500    
 H    2.068000       4.394100      -1.382900    
 H    2.776700      -3.985000      -1.379300    
 H   -5.000400       3.001600       1.248800    
 H    5.100400       2.823900       1.248400    
 H  -0.1011000      -5.825900       1.250500    
 H   -6.920900       2.409100     -0.1869000    
 H   -6.856100       1.017000      -1.263000    
 H   -7.067300      0.7686000      0.4862000    
 H    5.152700       4.875400      -1.124600    
 H    3.829400       5.855600     -0.4503000    
 H    5.070500       5.212700      0.6206000    
 H    1.369300      -7.194000     -0.1891000    
 H    2.544300      -6.442100      -1.263500    
 H    2.863400      -6.502600      0.4859000    


%chk=000006529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006529

0 1
P 0.005522 -0.013851 -0.020257
O -1.118481 1.015139 0.784820
O 1.464997 0.445629 0.774490
O -0.324640 -1.508156 0.772634
O 0.000454 -0.006192 -1.609881
C -2.501454 1.103192 0.409669
C 2.211500 1.615158 0.405110
C 0.300380 -2.743804 0.394210
C -5.254443 1.431423 -0.157032
C 3.826330 3.869660 -0.155259
C 1.409178 -5.282015 -0.181523
C -2.913674 1.245383 -0.931134
C 2.544614 1.904495 -0.934029
C 0.341651 -3.186514 -0.943658
C -3.426991 1.122392 1.472157
C 2.661067 2.422589 1.468739
C 0.796313 -3.534914 1.449564
C -4.292849 1.403427 -1.198163
C 3.346535 3.038017 -1.198392
C 0.902975 -4.454954 -1.215804
C -4.796049 1.294175 1.180429
C 3.470404 3.541074 1.179898
C 1.340198 -4.802040 1.153557
C -6.735222 1.590647 -0.456781
C 4.712340 5.068179 -0.449432
C 2.022580 -6.637764 -0.487369
H -2.179825 1.229815 -1.742794
H 2.180049 1.268308 -1.746429
H -0.050469 -2.557885 -1.749065
H -3.066642 1.008650 2.498599
H 2.374061 2.168384 2.493129
H 0.745256 -3.154857 2.473933
H -4.621494 1.512338 -2.238378
H 3.605095 3.273455 -2.237482
H 0.940887 -4.805953 -2.253722
H -5.519219 1.315803 2.004613
H 3.824320 4.171851 2.004221
H 1.721618 -5.424379 1.971983
H -7.196988 2.363098 0.185138
H -6.906568 1.877647 -1.508480
H -7.284312 0.646597 -0.275948
H 5.768857 4.855724 -0.195381
H 4.677892 5.344938 -1.517202
H 4.407226 5.951516 0.140401
H 1.639726 -7.418390 0.195145
H 1.805945 -6.956041 -1.521562
H 3.123149 -6.614095 -0.370286


