%chk=000005420.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005420

0 1
 P   -1.510900      0.1212000      0.2793000    
 P    1.418100      0.1572000     -0.2095000    
 O  -4.2700000E-02 -0.5282000      7.8999996E-03
 O   -1.473300       1.012800       1.497000    
 O    1.368600       1.148600      -1.347200    
 N   -2.533600      -1.185500      0.3989000    
 N   -1.894800      0.8864000      -1.147000    
 N    2.455300      -1.122200     -0.4335000    
 N    1.800600      0.8024000       1.275000    
 C   -2.432400      -2.057600       1.560000    
 C   -3.050900       1.768900      -1.180900    
 C    2.367300      -1.900700      -1.658800    
 C    2.948700       1.689600       1.380500    
 C   -1.424500      -3.173000       1.297800    
 C   -3.808500      -2.628400       1.887900    
 C   -3.684400       1.757800      -2.569200    
 C   -2.625200       3.178900     -0.7840000    
 C    2.770200      -3.348900      -1.395600    
 C    3.256200      -1.269900      -2.726000    
 C    3.587300       1.566700       2.761100    
 C    2.508800       3.124100       1.106000    
 H   -2.100300      -1.479400       2.430100    
 H   -3.806300       1.413600     -0.4702000    
 H    1.331200      -1.905500      -2.017500    
 H    3.705200       1.404100      0.6400000    
 H   -2.680000      -1.740700     -0.4435000    
 H   -1.123700       1.311600      -1.661200    
 H    3.434200     -0.9711000     -0.1917000    
 H    1.027700       1.175000       1.826000    
 H   -1.698600      -3.766600      0.4184000    
 H  -0.4165000      -2.778600       1.139900    
 H   -1.375100      -3.853800       2.154800    
 H   -4.201600      -3.232000       1.062100    
 H   -4.526900      -1.826700       2.092800    
 H   -3.760900      -3.266600       2.776900    
 H   -2.984200       2.112600      -3.333800    
 H   -4.002500      0.7464000      -2.845300    
 H   -4.568200       2.404200      -2.596600    
 H   -1.873000       3.582100      -1.471800    
 H   -2.206300       3.206900      0.2266000    
 H   -3.485500       3.857100     -0.7995000    
 H    3.804400      -3.420800      -1.040400    
 H    2.120500      -3.803400     -0.6394000    
 H    2.686200      -3.946300      -2.309800    
 H    4.306700      -1.246000      -2.414300    
 H    2.948900     -0.2449000      -2.954700    
 H    3.200300      -1.842800      -3.658200    
 H    2.886400       1.848400       3.555000    
 H    3.915900      0.5385000       2.949300    
 H    4.465000       2.217000       2.841000    
 H    1.755300       3.460200       1.827600    
 H    2.086300       3.233900      0.1025000    
 H    3.362900       3.806600       1.176900    


%chk=000005420-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005420

0 1
P -1.394026 -0.192879 0.473702
P 1.477863 0.060410 -0.542270
O 0.105262 -0.965385 -0.080788
O -1.089994 0.593007 1.845538
O 1.052501 0.941916 -1.820383
N -2.578935 -1.402917 0.682601
N -1.849142 0.623690 -0.976005
N 2.811956 -0.948287 -0.878521
N 1.835234 0.766666 0.990303
C -2.811441 -2.098688 1.973898
C -2.994966 1.578156 -1.003200
C 3.110855 -1.476682 -2.233884
C 2.839795 1.859967 1.130329
C -1.973515 -3.394989 2.082054
C -4.322131 -2.365871 2.137555
C -3.432083 1.755031 -2.471285
C -2.650346 2.929938 -0.329622
C 2.485046 -2.875287 -2.450675
C 4.638667 -1.484607 -2.449290
C 3.305475 1.895041 2.600167
C 2.286330 3.228787 0.661596
H -2.482772 -1.390263 2.757712
H -3.821043 1.100995 -0.438616
H 2.650015 -0.761124 -2.940987
H 3.701135 1.586114 0.488709
H -2.934624 -1.849155 -0.167477
H -1.038068 0.865088 -1.578447
H 3.241950 -1.421974 -0.079172
H 1.006007 0.827163 1.612396
H -2.278472 -4.124867 1.307898
H -0.900674 -3.174072 1.943686
H -2.111693 -3.867810 3.072031
H -4.692693 -3.043003 1.343437
H -4.892775 -1.422783 2.086361
H -4.523980 -2.848383 3.110810
H -2.610456 2.192681 -3.069408
H -3.705452 0.784216 -2.919424
H -4.300151 2.435675 -2.536772
H -1.828712 3.432252 -0.873903
H -2.326668 2.768379 0.714116
H -3.528595 3.602314 -0.329068
H 2.929429 -3.615202 -1.757737
H 1.396275 -2.844520 -2.270490
H 2.662552 -3.225029 -3.484368
H 5.136458 -2.159149 -1.725636
H 5.055949 -0.470716 -2.325338
H 4.881030 -1.845356 -3.465219
H 2.454903 2.123496 3.269982
H 3.728781 0.921207 2.900912
H 4.071733 2.678119 2.744447
H 1.423192 3.527926 1.285442
H 1.950685 3.170722 -0.389178
H 3.061729 4.013245 0.743182


