%chk=000002939.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002939

0 1
 P    2.400500       1.988600      0.5543000    
 P    4.033300      9.0200000E-02 -0.9935000    
 P    5.938200      -1.533500      0.5682000    
 O   -1.733400       1.162800     -0.2003000    
 O   0.9996000       1.289000      0.1464000    
 O    3.431900       1.537000     -0.6042000    
 O   -3.940800      4.2800002E-02   2.757500    
 O    2.168000       3.560400      0.2506000    
 O   -7.549100     -0.6946000      3.4000000E-03
 O    2.871900       1.689900       1.947800    
 O    4.934700     -0.2977000      0.2900000    
 O    5.127700      0.4205000      -2.136300    
 O    3.015100     -0.9431000      -1.376600    
 O    4.958500      -2.818400      0.5989000    
 O    6.344700      -1.332600       2.119700    
 O    7.092100      -1.629400     -0.3859000    
 N   -3.541500     -0.1710000      0.4669000    
 N   -5.731300     -0.3260000       1.372500    
 C   -2.121400      7.4000000E-03  0.5634000    
 C  -0.8488000      0.7344000      -1.258800    
 C   -1.413500      -1.144600     -4.1999999E-02
 C  -0.6819000     -0.7316000      -1.074300    
 C   0.4536000       1.497600      -1.144900    
 C   -4.103100     -0.3802000     -0.7884000    
 C   -4.366100     -0.1376000       1.614500    
 C   -5.409900     -0.5600000      -1.016500    
 C   -6.339300     -0.5370000      0.1442000    
 C   -5.989400     -0.7832000      -2.376500    
 H   -1.804300      0.1614000       1.599500    
 H   -1.331500      0.9488000      -2.218300    
 H   -1.469800      -2.165100      0.3064000    
 H  -6.9100000E-02  -1.369200      -1.693400    
 H   0.2632000       2.569200      -1.265100    
 H    1.166900       1.177900      -1.910700    
 H   -3.424300     -0.3849000      -1.633700    
 H   -6.341800     -0.3053000       2.184700    
 H   -6.503500      -1.748900      -2.419200    
 H   -5.219300     -0.7821000      -3.155200    
 H   -6.709000      5.4000001E-03  -2.619700    
 H    1.676800       4.102100      0.9043000    
 H    4.820600      0.5957000      -3.051300    
 H    5.351500      -3.713800      0.6768000    
 H    7.030300      -1.915300       2.510300    


%chk=000002939-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002939

0 1
P 2.802056 2.721058 -0.144368
P 3.304275 -0.298609 -0.960421
P 2.395322 -1.501652 1.837885
O -1.531736 1.482746 -0.295872
O 1.113814 2.682904 0.067094
O 3.213816 1.389714 -1.211126
O -1.095488 -2.269431 1.418774
O 2.934859 3.960208 -1.328532
O -5.527185 -3.271626 0.407846
O 3.647269 2.819271 1.177657
O 2.380960 -0.367413 0.529405
O 4.895928 -0.583165 -0.459631
O 2.741159 -1.120612 -2.181934
O 3.952424 -2.182002 1.432174
O 1.383272 -2.748206 1.380512
O 2.247327 -0.850938 3.264349
N -2.273812 -0.786301 0.018609
N -3.312459 -2.703801 0.883988
C -1.064424 0.109404 -0.113304
C -0.781154 2.095577 -1.434957
C -0.222140 -0.193320 -1.339194
C -0.071252 0.925492 -2.084168
C 0.127901 3.217555 -0.904956
C -3.460824 -0.475331 -0.656807
C -2.161472 -1.932903 0.804123
C -4.595058 -1.248883 -0.588415
C -4.571382 -2.465774 0.237627
C -5.876746 -0.910337 -1.306190
H -0.503239 0.015729 0.833277
H -1.526363 2.577588 -2.102516
H 0.228863 -1.167416 -1.531587
H 0.518156 1.011952 -2.998719
H -0.474211 3.936405 -0.324834
H 0.636275 3.734999 -1.738529
H -3.418701 0.458422 -1.220037
H -3.250823 -3.546061 1.466382
H -6.156388 -1.717677 -2.007077
H -5.787866 0.033663 -1.869291
H -6.711499 -0.819388 -0.588122
H 3.822412 4.043502 -1.759049
H 4.908830 -1.270250 0.291506
H 4.201194 -3.022212 1.887566
H 0.355109 -2.586881 1.426364


