%chk=000052808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052808

0 1
 O    2.266600      -1.557700       1.233100    
 O    3.378500      0.2847000     -0.5254000    
 O   -2.132600     -0.9700000      -1.901300    
 N   -3.792300      -1.681800     -0.4806000    
 C   -2.052600      0.6978000      0.9499000    
 C  -0.5888000      0.5837000      0.5542000    
 C   -3.009000      0.5851000     -0.2522000    
 C   -2.300000       2.008300       1.706100    
 C   0.1677000     -0.4434000       1.082000    
 C  -5.8899999E-02   1.510800     -0.3206000    
 C    1.510600     -0.5478000      0.7194000    
 C    1.283800       1.406600     -0.6829000    
 C   -2.916200     -0.7437000     -0.9840000    
 C    2.068600      0.3772000     -0.1631000    
 C    2.303200      -2.778900      0.4971000    
 C    3.871400       1.269400      -1.431800    
 H   -2.293000     -0.1224000       1.640400    
 H   -4.043300      0.7275000      8.7700002E-02
 H   -2.826400       1.376300     -0.9896000    
 H   -3.326600       2.042100       2.087100    
 H   -1.624000       2.101200       2.563600    
 H   -2.156300       2.887900       1.069200    
 H  -0.2624000      -1.166100       1.769700    
 H  -0.6544000       2.318500     -0.7345000    
 H    1.649400       2.159700      -1.372400    
 H   -3.832100      -2.617800     -0.8700000    
 H   -4.420800      -1.483800      0.2913000    
 H    1.300800      -3.212700      0.4243000    
 H    2.950300      -3.480900       1.030100    
 H    2.715000      -2.613800     -0.5036000    
 H    4.928100       1.043600      -1.609400    
 H    3.829800       2.274200     -0.9978000    
 H    3.366900       1.213000      -2.402400    


%chk=000052808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052808

0 1
O 1.946719 -1.710485 1.444134
O 3.232372 -0.076722 -0.536472
O -4.884648 -0.707175 -1.258454
N -2.699229 -1.422879 -0.977331
C -2.292517 0.795023 1.008959
C -0.853070 0.556237 0.536615
C -3.343940 0.835374 -0.141050
C -2.372409 2.115173 1.826072
C -0.072768 -0.480723 1.105885
C -0.246634 1.375311 -0.447365
C 1.273195 -0.703504 0.735740
C 1.096021 1.173116 -0.832201
C -3.710906 -0.490499 -0.828522
C 1.875224 0.148976 -0.241476
C 2.794874 -2.663274 0.698252
C 3.881730 0.840501 -1.477326
H -2.569156 -0.035014 1.689392
H -4.298233 1.233680 0.246387
H -3.013302 1.541614 -0.929166
H -3.382862 2.249715 2.253993
H -1.641293 2.110758 2.653816
H -2.153023 2.990471 1.186541
H -0.492266 -1.140856 1.873591
H -0.816010 2.184946 -0.917561
H 1.538486 1.830284 -1.586871
H -2.923621 -2.301226 -1.444517
H -1.748301 -1.247968 -0.648764
H 2.200696 -3.183430 -0.078172
H 3.131785 -3.386768 1.456119
H 3.652515 -2.152552 0.233663
H 4.928088 0.505135 -1.526528
H 3.840728 1.884025 -1.110586
H 3.422755 0.779537 -2.483198


