%chk=000060520.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060520

0 1
 O   0.6227000      0.2820000      -1.487300    
 O   -3.731300       1.624800      0.3461000    
 O   -4.610000     -0.3593000     -0.7021000    
 N    3.008700     -0.1956000       1.075900    
 C    3.049300      0.5039000      -1.346300    
 C    3.620500       1.622400     -0.4441000    
 C    3.879900     -0.7831000      -1.134500    
 C    3.637300       1.150800       1.031100    
 C    3.885700      -1.164100      0.3666000    
 C    1.642400      0.2010000     -0.8187000    
 C    1.682300     -0.2099000      0.6295000    
 C   0.5727000     -0.5222000       1.302800    
 C  -0.7979000     -0.5142000      0.7598000    
 C   -1.557400      0.6423000      0.8641000    
 C   -1.292800      -1.671900      0.1555000    
 C   -2.833700      0.6018000      0.3417000    
 C   -3.335600     -0.5313000     -0.2568000    
 C   -2.588800      -1.686200     -0.3658000    
 C   -4.854000       1.008900     -0.3174000    
 H    3.011900      0.8017000      -2.397500    
 H    4.635100       1.891300     -0.7596000    
 H    3.006900       2.527700     -0.5286000    
 H    3.453500      -1.609200      -1.716700    
 H    4.908300     -0.6399000      -1.485400    
 H    4.662600       1.110900       1.416900    
 H    3.081100       1.850800       1.666300    
 H    3.513800      -2.186200      0.5068000    
 H    4.903100      -1.133100      0.7737000    
 H   0.6452000     -0.8129000       2.348300    
 H   -1.176300       1.543200       1.332900    
 H  -0.6833000      -2.569300      8.2500003E-02
 H   -2.987900      -2.576800     -0.8378000    
 H   -5.091900       1.589100      -1.216400    
 H   -5.717700       1.035100      0.3571000    


%chk=000060520-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060520

0 1
O 1.405461 -0.454526 -2.244387
O -4.421337 0.282737 1.688776
O -5.028564 -0.226002 -0.579124
N 2.868733 0.309849 1.053926
C 3.679220 -0.244293 -1.340286
C 4.219367 1.155971 -0.919302
C 4.227950 -1.309892 -0.343171
C 3.700592 1.449825 0.535671
C 3.712733 -0.933092 1.092948
C 2.146890 -0.223858 -1.235497
C 1.714332 0.091264 0.153775
C 0.464331 0.203377 0.737102
C -0.915772 0.070042 0.269929
C -1.934789 0.267376 1.270997
C -1.302746 -0.235745 -1.073216
C -3.262074 0.151649 0.879929
C -3.625357 -0.150502 -0.452433
C -2.662981 -0.350346 -1.447998
C -5.572072 0.137505 0.761541
H 3.958068 -0.486030 -2.379093
H 5.325233 1.139881 -0.957704
H 3.875371 1.928240 -1.630520
H 3.889485 -2.319236 -0.638485
H 5.333707 -1.305657 -0.388171
H 4.538493 1.595543 1.241039
H 3.078776 2.360373 0.561769
H 3.101228 -1.743632 1.523816
H 4.552303 -0.742837 1.785769
H 0.551634 0.447826 1.807073
H -1.668982 0.498766 2.306749
H -0.514161 -0.381412 -1.818416
H -2.950384 -0.585668 -2.475714
H -6.099209 1.104877 0.679982
H -6.221077 -0.679873 1.115325


