%chk=000050514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050514

0 1
 P   -3.211400      -1.785000      0.2017000    
 P   -3.777900       1.349800      0.1343000    
 O   -2.810600      -1.557700       1.751700    
 O   -4.819500      -1.949300      0.2795000    
 O   -3.126700       1.499800       1.606200    
 O   -3.137100       2.588000     -0.6839000    
 O   -2.488900      -2.908700     -0.4808000    
 O   -5.278900       1.302600      0.1369000    
 O    3.339100       1.419300     -0.9919000    
 O    5.171500      -1.585600     -0.3190000    
 O    7.275500     -0.7448000     -0.4367000    
 N   -3.769100     -0.2920000      -1.761800    
 N   0.8321000      0.4706000     -0.3743000    
 N    4.165600      0.4611000      0.9556000    
 C   -2.966200     -0.1355000     -0.5420000    
 C   -1.504900      8.1699997E-02 -0.9946000    
 C  -0.5144000      0.2658000      0.1543000    
 C    1.783700      0.6864000      0.7050000    
 C    3.159300      0.8977000      0.1064000    
 C    5.572000      0.5712000      0.6407000    
 C    6.106700     -0.6353000     -8.7099999E-02
 H   -1.443000      0.9574000      -1.654200    
 H   -1.179500     -0.7781000      -1.596600    
 H  -0.8020000       1.137100      0.7496000    
 H  -0.5293000     -0.6151000      0.8045000    
 H   -3.409100      -1.067300      -2.318400    
 H   -3.670300      0.5344000      -2.351500    
 H    1.108500     -0.3471000     -0.9180000    
 H    1.534500       1.585100       1.280300    
 H    1.797500     -0.1752000       1.382300    
 H   -2.825800      -2.324400       2.363200    
 H   -5.194000      -2.786700      0.6271000    
 H   -3.449500       2.212200       2.197900    
 H   -3.462100       3.495500     -0.5029000    
 H    3.918100      3.7000000E-02   1.844800    
 H    6.108900      0.6748000       1.587700    
 H    5.732400       1.454500      1.5600000E-02
 H    5.543700      -2.359000     -0.7941000    


%chk=000050514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050514

0 1
P -3.494078 -1.801514 -0.167887
P -3.632746 1.256699 0.895513
O -4.400400 -1.662624 1.346664
O -4.697917 -2.063082 -1.347217
O -3.344406 0.454571 2.370120
O -2.385605 2.444346 0.914985
O -2.318481 -2.864839 -0.084418
O -5.096096 1.837684 0.607245
O 3.188094 -0.967274 -1.350373
O 6.349602 1.168145 1.653652
O 7.992556 0.305613 0.249354
N -4.055494 0.415318 -1.663193
N 0.754369 0.055005 -0.499499
N 4.321011 0.186438 0.310214
C -3.112420 0.100813 -0.561466
C -1.637513 0.242818 -0.986909
C -0.586239 -0.068832 0.102609
C 1.861206 0.030151 0.463555
C 3.167651 -0.283717 -0.279560
C 5.628816 -0.123683 -0.267676
C 6.787149 0.444000 0.530797
H -1.461692 1.280734 -1.325498
H -1.463781 -0.435687 -1.848745
H -0.672387 0.679321 0.910775
H -0.770675 -1.077025 0.541897
H -3.586402 0.782902 -2.500059
H -4.837584 1.022343 -1.347148
H 0.935680 -0.628481 -1.251264
H 1.937040 1.001762 0.992540
H 1.740290 -0.757624 1.252260
H -5.031404 -2.397943 1.541867
H -4.745394 -1.125672 -1.823644
H -3.811378 -0.451584 2.355143
H -2.650616 3.300728 1.337839
H 4.297038 0.766697 1.151180
H 5.706166 0.260600 -1.303919
H 5.772732 -1.218420 -0.353953
H 7.132208 1.526514 2.151720


