%chk=000029583.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029583

0 1
 O    1.704200     -0.3319000      3.3300001E-02
 O    2.738700       1.670500      0.5014000    
 N   -2.290800      0.8479000     -0.5368000    
 C   -2.028200     -0.2633000      0.3863000    
 C   -3.083900      -1.365800      0.2254000    
 C   -4.494200     -0.8125000      0.4112000    
 C   -4.719500      0.3943000     -0.4932000    
 C   -3.613800       1.432200     -0.3161000    
 C  -0.6303000     -0.8170000      0.1167000    
 C   0.4363000      0.2439000      0.3157000    
 C    2.782600      0.4955000      0.1653000    
 C    4.033700     -0.2433000     -0.1628000    
 C    3.977200      -1.685200     -0.5649000    
 C    5.188000      0.4347000     -8.1600003E-02
 H   -2.059000      0.1141000       1.417200    
 H   -2.908500      -2.164000      0.9566000    
 H   -3.004800      -1.823400     -0.7695000    
 H   -4.635900     -0.5170000       1.458000    
 H   -5.234700      -1.589700      0.1928000    
 H   -4.752200      6.5300003E-02  -1.539700    
 H   -5.692200      0.8470000     -0.2702000    
 H   -3.763600       2.250900      -1.028300    
 H   -3.662600       1.875100      0.6859000    
 H  -0.5567000      -1.223300     -0.9010000    
 H  -0.4244000      -1.663300      0.7850000    
 H   -2.232800      0.5079000      -1.497100    
 H   0.2828000       1.093100     -0.3593000    
 H   0.4225000      0.6030000       1.351700    
 H    3.537100      -2.290200      0.2347000    
 H    3.374700      -1.808300      -1.470800    
 H    4.972900      -2.090900     -0.7743000    
 H    6.133700     -4.7800001E-02 -0.3083000    
 H    5.234700       1.478900      0.2089000    


%chk=000029583-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029583

0 1
O 1.753787 -0.308356 -0.040992
O 2.832524 1.558209 0.847674
N -2.358452 0.836680 -0.654655
C -2.048995 -0.225969 0.346227
C -3.110703 -1.361984 0.358296
C -4.534160 -0.781020 0.546611
C -4.839589 0.309210 -0.509632
C -3.728728 1.393925 -0.501690
C -0.623707 -0.768481 0.102990
C 0.440798 0.308755 0.313896
C 2.892562 0.437153 0.282494
C 4.145187 -0.283383 -0.130504
C 4.024061 -1.629389 -0.814619
C 5.331831 0.328134 0.137514
H -2.077181 0.267814 1.342714
H -2.881333 -2.084512 1.166892
H -3.055047 -1.918341 -0.601551
H -4.611331 -0.334267 1.559865
H -5.288098 -1.589579 0.496687
H -4.891707 -0.153383 -1.517196
H -5.825918 0.773773 -0.312308
H -3.895067 2.135958 -1.304296
H -3.761339 1.942388 0.461308
H -0.547892 -1.162688 -0.930932
H -0.431558 -1.617749 0.785271
H -2.218671 0.469695 -1.610399
H 0.267552 1.184984 -0.333610
H 0.484699 0.656573 1.362354
H 3.489867 -2.352912 -0.173040
H 3.437132 -1.547251 -1.747032
H 5.020576 -2.036245 -1.056928
H 6.286963 -0.134521 -0.133689
H 5.352936 1.304178 0.634479


