%chk=000057311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057311

0 1
 O   -2.539400       2.263200      8.0100000E-02
 O   -4.523700      0.3353000     -0.1858000    
 O    1.247100      -2.255700     -0.3121000    
 O    3.415500      0.1553000      -1.218700    
 O    5.888100       1.108300     -0.6986000    
 N    1.715000     -0.3335000      0.8973000    
 N    5.130600      0.4739000      0.2952000    
 C  -0.5399000     -0.7968000      0.1079000    
 C   -2.218500      0.9398000      4.4700000E-02
 C  -0.8813000      0.5552000      0.1428000    
 C   -3.214500     -2.7799999E-02 -8.8100001E-02
 C   -1.535900      -1.764400     -2.4900001E-02
 C   0.8542000      -1.198000      0.2111000    
 C   -2.873200      -1.379700     -0.1227000    
 C    3.129200     -0.5806000       1.064200    
 C    3.888500      3.2400001E-02 -9.1399997E-02
 C   -1.462200       3.187800      0.2179000    
 C   -5.479500     -0.7149000     -0.3189000    
 H  -8.3899997E-02   1.285000      0.2027000    
 H   -1.289600      -2.822900     -4.9300000E-02
 H   -3.592600      -2.185200     -0.2227000    
 H    1.349000      0.4935000       1.356600    
 H    3.325300      -1.656800       1.085100    
 H    3.432100     -0.1358000       2.016900    
 H  -0.7898000       3.156600     -0.6463000    
 H  -0.9325000       3.055100       1.167500    
 H   -1.901300       4.190900      0.2394000    
 H   -5.492700      -1.363000      0.5641000    
 H   -5.334100      -1.277700      -1.247200    
 H   -6.466800     -0.2457000     -0.3832000    
 H    5.574100      0.3226000       1.194300    
 H    6.776200      0.7818000     -0.4757000    


%chk=000057311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057311

0 1
O -2.602009 2.197079 -0.354813
O -4.539879 0.413989 -0.144509
O 1.173986 -2.659332 0.200323
O 3.658887 1.550302 0.814560
O 6.302643 1.386848 0.451867
N 1.872949 -0.478624 0.497765
N 5.464576 0.219663 0.392254
C -0.526999 -0.913360 0.162488
C -2.189412 0.877771 -0.143141
C -0.848191 0.459195 -0.042192
C -3.244264 -0.090022 -0.036974
C -1.570419 -1.858349 0.249836
C 0.879804 -1.419774 0.282328
C -2.917562 -1.451536 0.153906
C 3.267508 -0.890107 0.603918
C 4.126427 0.372225 0.606461
C -1.556400 3.216219 -0.472497
C -5.644266 -0.546845 -0.059129
H -0.053688 1.201947 -0.163966
H -1.304362 -2.910273 0.390349
H -3.710545 -2.201020 0.229426
H 1.686729 0.511610 0.678655
H 3.526508 -1.566991 -0.232488
H 3.443422 -1.467210 1.536402
H -0.896124 3.019313 -1.339937
H -0.947940 3.280134 0.451024
H -2.097625 4.160884 -0.626113
H -5.653646 -1.062604 0.920605
H -5.589794 -1.294653 -0.873751
H -6.554575 0.059657 -0.169884
H 5.998748 -0.626270 0.202308
H 5.619013 2.108335 0.637117


