%chk=000001603.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001603

0 1
 P    1.263100      -3.216300     -0.5503000    
 P    4.503400       1.381400      -1.116000    
 P    4.774800      0.7861000       1.752000    
 O  -0.4836000       1.365000     -0.3863000    
 O    1.300500      -1.675600      -1.049900    
 O   -1.041900      -1.880600      0.9788000    
 O    3.015600      0.7544000      -1.216700    
 O    2.169200      -3.207000      0.7891000    
 O    2.201800      -3.971000      -1.629300    
 O  -0.1118000      -3.796600     -0.3909000    
 O    4.689200       1.739000      0.4496000    
 O    4.377700       2.834600      -1.815700    
 O    5.590100      0.5138000      -1.682000    
 O    6.157800     -2.1299999E-02   1.533500    
 O    5.125800       1.822100       2.941900    
 O    3.563400     -6.7800000E-02   1.983700    
 N   -2.722000      0.6127000     -0.2432000    
 N   -4.390000       1.138200      -1.627700    
 N   -3.998100      8.8000000E-03   1.733700    
 N   -6.396900      0.2329000       1.344300    
 N   -7.296000      0.9605000     -0.7509000    
 C   0.6737000     -0.6902000     -0.2514000    
 C  -0.8024000     -0.9816000     -8.9699998E-02
 C   0.6446000      0.6653000     -0.9382000    
 C   -1.356600      0.4003000      0.2326000    
 C    1.905400       1.481000     -0.7156000    
 C   -3.876100      0.4243000      0.4641000    
 C   -3.083600       1.042200      -1.493400    
 C   -4.897700      0.7549000     -0.4118000    
 C   -6.198500      0.6469000      6.9600001E-02
 C   -5.300600     -5.6200001E-02   2.086200    
 H    1.170600     -0.6454000      0.7245000    
 H   -1.231000      -1.403300      -1.007100    
 H   0.4813000      0.5386000      -2.016400    
 H   -1.358300      0.6036000       1.310300    
 H    2.044300       1.698600      0.3486000    
 H    1.824800       2.442200      -1.234600    
 H   -2.005300      -1.963500       1.080700    
 H   -2.360300       1.263700      -2.266300    
 H    2.237200      -4.028000       1.321600    
 H    2.268400      -4.949200      -1.598300    
 H   -5.496600     -0.3847000       3.101400    
 H   -8.231600      0.8742000     -0.3780000    
 H   -7.150500       1.269800      -1.702300    
 H    4.392900       2.892400      -2.794800    
 H    6.397400     -0.7327000       2.164900    
 H    5.147900       1.494100       3.866000    


%chk=000001603-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001603

0 1
P 1.932392 -3.181554 -0.375953
P 4.418583 0.565476 -0.863049
P 2.771788 0.867147 1.909967
O -0.461850 1.193643 -1.773229
O 1.429680 -1.879435 -1.522741
O -0.725911 -1.376856 0.855018
O 3.288650 1.016843 -2.066946
O 1.507959 -2.423068 1.121137
O 3.592728 -3.194887 -0.470057
O 1.180015 -4.539195 -0.639172
O 3.954591 1.296735 0.585728
O 5.770643 1.473711 -1.355073
O 4.767858 -0.987587 -0.818000
O 2.956255 -0.725601 2.152780
O 3.516798 1.731941 3.175065
O 1.371628 1.508906 1.501645
N -2.418659 0.948962 -0.443514
N -4.468707 1.925940 -0.789515
N -3.128751 -0.780415 1.216364
N -5.484583 -0.708928 1.737345
N -6.945346 0.851639 0.750943
C 0.903739 -0.656405 -0.940572
C -0.565195 -0.768204 -0.454321
C 0.862240 0.494804 -1.983083
C -0.959239 0.724624 -0.472235
C 1.943049 1.577786 -1.789186
C -3.320074 0.275303 0.358701
C -3.162882 1.942597 -1.115565
C -4.580640 0.882296 0.143447
C -5.689766 0.355532 0.870294
C -4.251492 -1.224684 1.872254
H 1.502285 -0.333421 -0.071299
H -1.151533 -1.322610 -1.215610
H 0.862505 0.095000 -3.009416
H -0.469654 1.261334 0.367529
H 1.886501 2.007196 -0.770858
H 1.816803 2.372875 -2.540309
H -2.093958 -1.215485 1.264719
H -2.688886 2.613839 -1.825781
H 0.164793 -1.905743 1.128904
H 4.100962 -2.294029 -0.628682
H -4.117531 -2.066501 2.555237
H -7.700331 0.435080 1.295386
H -7.127836 1.632586 0.120941
H 6.618635 0.959019 -1.324287
H 2.207154 -1.741842 1.637864
H 4.316091 1.286238 3.557482


