%chk=000022646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022646

0 1
 O   -2.711700       1.677800      0.5924000    
 O   -3.241300     -0.9920000      3.7200000E-02
 N    3.171100     -0.1101000     -0.1715000    
 C    2.139000      0.9125000      0.1502000    
 C   0.6987000      0.3944000      0.1212000    
 C    2.821600      -1.437900      0.3469000    
 C    1.545600      -1.933400     -0.3260000    
 C   0.4200000     -0.9642000     -0.1078000    
 C    2.290100       2.075600     -0.8492000    
 C  -0.3761000       1.263700      0.3776000    
 C    4.492800      0.2727000      0.3399000    
 C  -0.9070000      -1.415400     -0.1517000    
 C   -1.694200      0.8051000      0.3488000    
 C   -1.960000     -0.5323000      7.4800000E-02
 C   -3.263100       2.360300     -0.5319000    
 C   -3.425500      -2.376800     -0.2509000    
 H    2.306200       1.284000       1.171000    
 H    2.701000      -1.414800       1.438700    
 H    3.619700      -2.156300      0.1212000    
 H    1.287300      -2.913200      9.3000002E-02
 H    1.702600      -2.060900      -1.404200    
 H    1.598600       2.895900     -0.6302000    
 H    3.292600       2.513300     -0.8272000    
 H    2.090200       1.743900      -1.875300    
 H  -0.1896000       2.310100      0.6079000    
 H    4.839200       1.215400     -9.2900001E-02
 H    5.242400     -0.4774000      6.1999999E-02
 H    4.497800      0.3716000       1.431500    
 H   -1.049500      -2.471300     -0.3575000    
 H   -2.500100       2.976400      -1.018200    
 H   -4.065600       3.012700     -0.1770000    
 H   -3.682900       1.647000      -1.248200    
 H   -4.504200      -2.565300     -0.2485000    
 H   -2.990800      -3.012300      0.5281000    
 H   -3.061000      -2.633500      -1.251400    


%chk=000022646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022646

0 1
O -2.578547 1.880130 0.557759
O -3.272205 -0.801770 -0.084952
N 3.274027 -0.130234 -0.066289
C 2.253172 0.938059 0.158305
C 0.812439 0.412440 0.077775
C 2.868112 -1.475054 0.400924
C 1.633087 -1.942597 -0.385492
C 0.505847 -0.939704 -0.211374
C 2.468759 2.080584 -0.871488
C -0.257927 1.314170 0.302223
C 4.604854 0.249179 0.446284
C -0.848005 -1.353949 -0.283377
C -1.604929 0.915537 0.230550
C -1.909029 -0.449120 -0.066086
C -3.659974 2.103710 -0.423916
C -3.598652 -2.213435 -0.292134
H 2.385635 1.373367 1.185378
H 2.645220 -1.498489 1.499083
H 3.715406 -2.163211 0.221878
H 1.315150 -2.944238 -0.037055
H 1.914773 -2.034678 -1.452798
H 1.761829 2.910761 -0.699322
H 3.490352 2.494741 -0.807173
H 2.314101 1.689685 -1.891624
H -0.069554 2.363653 0.552953
H 4.946385 1.191327 -0.014782
H 5.337571 -0.534578 0.183399
H 4.625843 0.384942 1.558179
H -1.058341 -2.408448 -0.492080
H -3.237963 2.431345 -1.394440
H -4.272391 2.910453 0.007495
H -4.262459 1.190968 -0.562778
H -4.696241 -2.266383 -0.237182
H -3.154729 -2.847027 0.499949
H -3.257714 -2.566838 -1.284991


