%chk=000040462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040462

0 1
 O   -2.372700     -0.7926000      0.3386000    
 O   -2.347100       1.370800     -0.4849000    
 N    2.425500     -0.2084000      0.3463000    
 C    1.754200      -1.123000     -0.5863000    
 C   0.2473000      -1.177900     -0.2899000    
 C    1.925200       1.169000      0.1863000    
 C  -0.3379000      0.1837000     -7.1500003E-02
 C   0.4243000       1.266700      0.1319000    
 C    3.876100     -0.2534000      0.1739000    
 C   -1.790900      0.3504000     -0.1071000    
 C   -3.803800     -0.7853000      0.3625000    
 H    2.159200      -2.137600     -0.4859000    
 H    1.920500     -0.8093000      -1.625900    
 H   8.0300003E-02  -1.786200      0.6084000    
 H  -0.2535000      -1.679800      -1.126400    
 H    2.325900       1.631400     -0.7253000    
 H    2.272700       1.765800       1.038200    
 H  -1.1400000E-02   2.253200      0.2621000    
 H    4.369800      0.4059000      0.8965000    
 H    4.183100      4.7400001E-02 -0.8343000    
 H    4.253900      -1.264500      0.3615000    
 H   -4.167200     -1.5000000E-03   1.034000    
 H   -4.142500      -1.754500      0.7380000    
 H   -4.198300     -0.6424000     -0.6479000    


%chk=000040462-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040462

0 1
O -2.469516 -0.881267 0.067537
O -2.409720 1.446763 0.173034
N 2.498326 -0.159091 0.278883
C 1.747354 -1.158506 -0.515539
C 0.280377 -1.232223 -0.046451
C 1.975684 1.209198 0.097076
C -0.319589 0.159036 0.053039
C 0.471361 1.270159 0.099477
C 3.956663 -0.228323 0.086783
C -1.795108 0.351488 0.102493
C -3.945981 -0.793785 0.128388
H 2.233689 -2.142099 -0.381497
H 1.776045 -0.920335 -1.611305
H 0.228989 -1.730073 0.940332
H -0.312482 -1.852127 -0.742951
H 2.338339 1.676636 -0.861863
H 2.369084 1.853455 0.910309
H 0.000008 2.260330 0.144211
H 4.456519 0.487762 0.764521
H 4.281374 0.006045 -0.959550
H 4.317555 -1.241427 0.338064
H -4.262363 -0.304426 1.065143
H -4.291833 -1.836454 0.088972
H -4.332077 -0.212837 -0.726303


