%chk=000000593.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000593

0 1
 P   -2.821600       2.013200      -1.109400    
 P   -4.227600     -0.5688000     -0.9620000    
 P   -3.016800      -2.612300      0.7878000    
 O   0.8234000      0.7075000      9.8999999E-02
 O    1.186900       2.722400       3.036300    
 O    2.565900     -6.0100000E-02   3.107100    
 O   -1.356700       2.400600     -0.5418000    
 O    3.567900      -2.259300      0.7707000    
 O   -2.975900      0.4367000     -0.7921000    
 O   -3.850900       2.702500     -6.8899997E-02
 O   -3.057100       2.377100      -2.546600    
 O   -3.600500      -2.011700     -0.5943000    
 O   -4.445000     -0.6494000      -2.561800    
 O   -5.453000     -0.2023000     -0.1776000    
 O   -2.427400      -4.049800      0.3418000    
 O   -1.690900      -1.728300       1.055900    
 O   -4.002000      -2.650400       1.918700    
 N    2.963300     -0.2116000     -0.1051000    
 N    4.838200      -1.479900     -0.9413000    
 N    6.136900     -0.6748000      -2.694400    
 C   0.9505000       1.538500       2.299400    
 C    2.228200      0.7801000       2.018500    
 C   0.4764000       1.853800      0.8921000    
 C    1.852200     -2.5000000E-02  0.7844000    
 C   -1.017800       2.106100      0.8027000    
 C    3.238100      0.7722000      -1.042500    
 C    3.783600      -1.366900     -5.1500000E-02
 C    4.248000      0.6829000      -1.905900    
 C    5.083600     -0.5431000      -1.819300    
 H   0.2366000      0.9167000       2.853200    
 H    3.067200       1.464800       1.848400    
 H    1.011400       2.716600      0.4747000    
 H    1.438900      -1.004100       1.054100    
 H   -1.311100       2.957100       1.424900    
 H   -1.570900       1.222900       1.137900    
 H   0.3386000       3.189100       3.124400    
 H    1.823700     -0.6668000       3.269500    
 H    2.615600       1.658500      -1.055300    
 H    4.474000       1.450800      -2.633500    
 H   -4.042700       3.660600     -0.1560000    
 H    6.353100      3.4800000E-02  -3.386700    
 H    6.733800      -1.494600      -2.670700    
 H   -4.904500      8.8799998E-02  -3.015900    
 H   -2.092300      -4.660600       1.032400    
 H   -1.196700      -1.852400       1.894200    


%chk=000000593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000593

0 1
P -2.990832 2.459757 -1.039612
P -3.916192 -0.528071 -0.852074
P -1.752446 -2.392625 0.643538
O 1.202091 1.968945 0.074431
O 1.922036 2.501997 3.161021
O 0.818008 -0.706544 2.491257
O -1.490036 2.895472 -0.340593
O 1.897462 -2.079709 0.456175
O -2.738814 0.674329 -1.220676
O -4.077084 2.538246 0.263050
O -3.290864 3.206860 -2.388518
O -3.026694 -1.898928 -0.425090
O -4.569009 -1.099678 -2.306982
O -5.018129 0.075958 0.128227
O -0.503929 -2.461613 -0.499402
O -1.554825 -0.941588 1.514256
O -2.101697 -3.703047 1.446956
N 2.513597 0.023106 -0.351276
N 3.738737 -1.945135 -0.992033
N 5.563674 -1.789210 -2.412266
C 0.849355 1.794110 2.462003
C 1.478999 0.481596 1.938980
C 0.372080 2.535831 1.170704
C 1.335511 0.555850 0.380767
C -1.129004 2.300822 0.963698
C 3.349221 0.833236 -1.090870
C 2.717949 -1.395169 -0.289444
C 4.404107 0.282652 -1.796255
C 4.566139 -1.149213 -1.731639
H 0.005086 1.571406 3.145108
H 2.544900 0.483436 2.228026
H 0.602147 3.612863 1.176032
H 0.449002 -0.017563 0.044329
H -1.694523 2.817801 1.762764
H -1.391773 1.225308 0.983473
H 1.557349 3.291830 3.633829
H 1.285858 -1.486171 2.043381
H 3.107295 1.897435 -1.080992
H 5.065727 0.918821 -2.386364
H -4.664452 1.697005 0.376880
H 6.228408 -1.286666 -2.995267
H 5.621792 -2.804593 -2.334437
H -4.095572 -1.886760 -2.685142
H 0.461302 -2.530519 -0.149898
H -0.677358 -0.859769 2.075444


