%chk=000048448.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048448

0 1
 O   0.3775000       2.160600      0.5382000    
 O  -0.9492000      -2.079400     -0.7694000    
 O    3.514500      -1.118300     -0.4589000    
 N    2.003800      0.5235000      0.2299000    
 N    1.280700      -1.592000     -0.5397000    
 C  -0.3476000     -0.1418000      0.5554000    
 C   -1.748300      0.4072000      0.2415000    
 C   -2.840000     -0.6443000      0.5205000    
 C   -1.854000      0.8722000      -1.224200    
 C   0.6876000      0.9735000      0.4233000    
 C  -0.3146000     -0.6277000       2.015900    
 C  -6.5899998E-02  -1.344100     -0.3305000    
 C   -4.254100     -0.1572000      0.2361000    
 C  -0.9249000       2.026200      -1.575000    
 C    2.354500     -0.7533000     -0.2495000    
 C    3.080000       1.494900      0.3863000    
 H   -1.958400       1.274400      0.8839000    
 H   -2.770400      -1.579000     -2.6400000E-02
 H   -2.824700     -0.9083000       1.583900    
 H   -1.698100      5.1700000E-02  -1.932600    
 H   -2.866800       1.242600      -1.418100    
 H   0.7150000     -0.7934000       2.356800    
 H  -0.7521000      0.1128000       2.695500    
 H  -0.8331000      -1.582600       2.155300    
 H   -4.460700     -0.1063000     -0.8370000    
 H   -4.982100     -0.8529000      0.6677000    
 H   -4.432700      0.8277000      0.6790000    
 H   -1.235600       2.390900      -2.565100    
 H   0.1135000       1.735600      -1.740600    
 H   -1.061500       2.895100     -0.9264000    
 H    1.509700      -2.463200      -1.010300    
 H    3.984700       1.006000      0.7593000    
 H    2.790900       2.293300       1.075500    
 H    3.292500       1.928300     -0.5960000    


%chk=000048448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048448

0 1
O 0.411053 1.892086 1.426306
O -0.716111 -2.376969 -0.625307
O 3.512488 -0.554849 -1.055252
N 1.977712 0.659524 0.242298
N 1.357385 -1.390169 -0.808140
C -0.363637 -0.289232 0.636869
C -1.756881 0.346013 0.197353
C -2.982495 -0.525903 0.596277
C -1.808443 0.699226 -1.317848
C 0.677344 0.845773 0.776616
C -0.429504 -0.918626 2.076067
C 0.044265 -1.423764 -0.309237
C -4.339886 0.183645 0.378025
C -0.730818 1.675544 -1.843723
C 2.360191 -0.433053 -0.565294
C 2.996957 1.712926 0.473432
H -1.813523 1.291564 0.776292
H -2.955371 -1.477886 0.034658
H -2.913460 -0.785527 1.668436
H -1.791156 -0.238812 -1.908215
H -2.796136 1.157910 -1.508416
H 0.579049 -1.208913 2.423886
H -0.838296 -0.176299 2.781443
H -1.063457 -1.818686 2.068957
H -4.577437 0.320542 -0.691722
H -5.157929 -0.414069 0.820569
H -4.352506 1.180442 0.859414
H -0.966973 1.978701 -2.880211
H 0.279273 1.227145 -1.867132
H -0.681093 2.589787 -1.224372
H 1.642502 -2.170064 -1.410573
H 3.987813 1.240064 0.532454
H 2.743704 2.234442 1.407161
H 2.995476 2.440186 -0.356771


