%chk=000028033.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028033

0 1
 P  -0.2567000      0.3450000     -0.3448000    
 O   -3.996000       1.115900      0.4242000    
 O    2.865800       2.533600      0.4461000    
 O   -3.138700     -0.1030000      -1.320300    
 O    2.571500       1.079500      -1.303800    
 O    1.617600      -4.377700      5.1100001E-02
 O    1.280200      -2.110700      -1.345100    
 N   -1.772500      0.8732000      0.2897000    
 N   0.9213000       1.429900      0.2979000    
 N   5.6800000E-02  -1.179800      0.4034000    
 N   0.8932000      -3.299600      0.5917000    
 C   -5.318300      0.8766000     -7.0400000E-02
 C    4.177500       2.839600     -4.0399998E-02
 C   -2.977700      0.5632000     -0.3024000    
 C    2.154000       1.624500     -0.2868000    
 C   0.7881000      -2.185600     -0.2190000    
 C   -6.316900       1.553200      0.8444000    
 C    4.820800       3.854100      0.8808000    
 C    1.629800      -5.431900       1.003600    
 H   -1.753000       1.433500       1.135900    
 H   0.6768000       1.934700       1.143900    
 H  -0.3164000      -1.324200       1.336200    
 H   -5.509400     -0.2020000     -9.3800001E-02
 H   -5.408500       1.284800      -1.083200    
 H    4.103900       3.252900      -1.052500    
 H    4.780700       1.925200     -6.3100003E-02
 H   -7.340200       1.390300      0.4951000    
 H   -6.226100       1.168400       1.865600    
 H   -6.126900       2.630500      0.8926000    
 H    5.826900       4.111300      0.5377000    
 H    4.219000       4.767700      0.9282000    
 H    4.884500       3.462100       1.901300    
 H   0.4987000      -3.390300       1.521200    
 H   0.6104000      -5.770300       1.215700    
 H    2.192800      -6.269100      0.5821000    
 H    2.123600      -5.110600       1.926400    


%chk=000028033-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028033

0 1
P -0.148376 -0.252113 -0.656759
O -3.712099 1.333818 0.237951
O 2.799653 2.166065 0.540381
O -3.184037 -0.484735 -1.170142
O 1.274016 2.417560 -1.242312
O 0.936197 -5.179919 0.515240
O 1.576090 -2.707217 -0.662672
N -1.554728 0.582905 0.136775
N 1.103968 0.653124 0.294134
N -0.201508 -1.683949 0.449865
N 0.320582 -3.932939 0.920625
C -5.138223 1.230904 -0.197165
C 3.510612 3.397764 0.080476
C -2.844147 0.402141 -0.344555
C 1.691392 1.796994 -0.230758
C 0.616250 -2.788730 0.156404
C -5.897364 2.331496 0.536175
C 4.679354 3.607727 1.037120
C 2.310302 -5.265699 1.068629
H -1.379062 1.356670 0.784486
H 1.551164 0.200218 1.096468
H -0.929991 -1.716549 1.169537
H -5.508444 0.220304 0.053866
H -5.175456 1.349408 -1.294794
H 2.794946 4.239743 0.093687
H 3.839506 3.239782 -0.962191
H -6.963907 2.303935 0.247677
H -5.829630 2.198282 1.629516
H -5.493875 3.325772 0.279611
H 5.245916 4.509376 0.741060
H 4.323376 3.745713 2.072462
H 5.365619 2.744054 1.015457
H -0.635474 -4.116209 1.240606
H 2.295897 -5.159111 2.168747
H 2.646566 -6.274084 0.779057
H 2.951516 -4.497599 0.604539


