%chk=000049304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049304

0 1
 O  -0.6710000      0.3517000       2.462200    
 O  -0.3486000      0.8585000      -2.305300    
 O   -2.581100      -2.665400     -0.4094000    
 N   -1.615300      -1.132500       1.000100    
 N   -1.455800     -0.8869000      -1.325500    
 C  -0.4159000      0.8238000      0.1083000    
 C    1.101700       1.018400      0.2276000    
 C    1.833700     -0.3248000      0.2787000    
 C    3.366800     -0.1866000      0.3265000    
 C  -0.8949000      1.0600000E-02   1.298800    
 C  -0.7196000      0.2839000      -1.279700    
 C   -1.134200       2.140600      0.2049000    
 C    3.854000      0.6106000     -0.8860000    
 C    4.074500      -1.541600      0.3706000    
 C   -1.929400      -1.630800     -0.2553000    
 C   -2.465000       2.270500      0.1835000    
 H    1.453200       1.620100     -0.6177000    
 H    1.350900       1.585400       1.135100    
 H    1.523400     -0.8928000       1.163600    
 H    1.564400     -0.9347000     -0.5926000    
 H    3.642300      0.3651000       1.234200    
 H  -0.5393000       3.047300      0.2925000    
 H    3.575500       1.666300     -0.8177000    
 H    3.456800      0.2032000      -1.822000    
 H    4.947800      0.5848000     -0.9496000    
 H    3.858700      -2.130800     -0.5270000    
 H    5.159800      -1.414700      0.4422000    
 H    3.746800      -2.119000       1.241300    
 H   -1.948800      -1.673000       1.793400    
 H   -1.671700      -1.245600      -2.251600    
 H   -2.918000       3.253500      0.2551000    
 H   -3.128400       1.417800      9.3199998E-02


%chk=000049304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049304

0 1
O -0.779045 0.209420 2.342982
O -0.332685 0.467549 -2.497085
O -2.903451 -2.821873 -0.457834
N -1.854093 -1.238837 0.905642
N -1.601889 -1.147121 -1.441151
C -0.541894 0.678279 -0.057889
C 1.000966 0.940114 0.098304
C 1.859154 -0.344011 0.084616
C 3.365397 -0.083294 0.361637
C -1.041835 -0.116384 1.156613
C -0.793182 0.001614 -1.423683
C -1.260484 2.043718 -0.140691
C 4.014988 0.806303 -0.726078
C 4.121964 -1.427431 0.485917
C -2.176911 -1.805398 -0.339538
C -1.969662 2.654151 0.836911
H 1.297371 1.612975 -0.724932
H 1.135035 1.479123 1.053517
H 1.483718 -1.047174 0.856600
H 1.763927 -0.853281 -0.897076
H 3.441804 0.446716 1.335168
H -1.112547 2.534764 -1.112987
H 3.563114 1.813638 -0.767041
H 3.903981 0.343528 -1.725793
H 5.095702 0.934988 -0.530922
H 4.073441 -1.992878 -0.464837
H 5.188741 -1.263068 0.725302
H 3.688822 -2.062597 1.281265
H -2.230077 -1.728792 1.724487
H -1.804660 -1.558701 -2.358334
H -2.402306 3.645368 0.662061
H -2.120102 2.211491 1.827252


