%chk=000076576.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076576

0 1
 O  -0.7775000     -0.3689000      6.0000003E-04
 O   -2.407800       1.256400      6.5000001E-03
 N   -2.950100     -0.9780000     -6.9999998E-04
 C    1.637700      6.2000002E-03  1.2000001E-03
 C   0.2299000      0.6347000      3.7000000E-03
 C    2.712400       1.106300      5.4000001E-03
 C    1.798900     -0.8534000      -1.262700    
 C    1.827900     -0.8803000       1.243600    
 C   -2.071500      7.7000000E-02  2.4000001E-03
 H   0.1043000       1.271600     -0.8814000    
 H   0.1065000       1.261300      0.8963000    
 H    2.616000       1.754600     -0.8727000    
 H    3.720900      0.6777000     -5.2000000E-03
 H    2.626300       1.737600      0.8968000    
 H    1.648800     -0.2562000      -2.169300    
 H    2.803100      -1.289300      -1.316100    
 H    1.082100      -1.681600      -1.284700    
 H    1.694100     -0.3013000       2.164300    
 H    2.833200      -1.316100       1.267300    
 H    1.110800      -1.708300       1.262400    
 H   -2.622500      -1.938100     -4.0000002E-03
 H   -3.953700     -0.8300000      9.9999997E-05


%chk=000076576-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076576

0 1
O -0.778328 -0.398264 0.001839
O -2.437286 1.279289 0.018437
N -2.968416 -1.008877 0.001100
C 1.650399 -0.011068 -0.004262
C 0.262419 0.663932 0.007925
C 2.705711 1.127568 0.001147
C 1.814889 -0.871546 -1.283674
C 1.826097 -0.894046 1.258252
C -2.105086 0.067422 0.008408
H 0.115817 1.304085 -0.882431
H 0.123325 1.286310 0.912007
H 2.604982 1.776101 -0.889690
H 3.725628 0.701299 -0.005439
H 2.610766 1.762096 0.902645
H 1.714057 -0.251963 -2.195044
H 2.813165 -1.346695 -1.303453
H 1.049668 -1.665926 -1.323849
H 1.735566 -0.290355 2.181289
H 2.823615 -1.371214 1.259798
H 1.059829 -1.687729 1.292036
H -2.609147 -1.959956 -0.007388
H -3.967873 -0.828562 0.004144


