%chk=000059108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059108

0 1
 O    2.242800      0.4981000      -1.927100    
 O    3.335300      -1.493100     -0.4977000    
 O   -1.639500      -2.280500     -7.1000002E-02
 N   -2.535200     -0.2164000      0.1474000    
 N    3.826900     -0.1291000       1.284700    
 N   -2.711000      -1.664100     -8.0600001E-02
 N   -4.317100       1.135700     -0.9945000    
 C   0.3832000      0.4583000      0.3930000    
 C    1.548200       1.435100      0.1791000    
 C  -0.7410000       1.111300       1.205000    
 C    2.705700      0.8420000     -0.6320000    
 C   -1.924900      0.1781000       1.435700    
 C    3.318500     -0.3837000      3.0300001E-02
 C   -3.491800      0.5084000     -0.4722000    
 H   0.7318000     -0.4367000      0.9207000    
 H   3.1999999E-03  0.1342000     -0.5822000    
 H    1.906500       1.791500       1.151600    
 H    1.163600       2.311300     -0.3589000    
 H  -0.3486000       1.429100       2.178600    
 H   -1.082200       2.017200      0.6886000    
 H    3.490000       1.599600     -0.7462000    
 H   -1.592600     -0.6998000       2.002800    
 H   -2.676600      0.6835000       2.054800    
 H    3.017400      0.2432000      -2.457000    
 H    3.827200      0.7975000       1.698400    
 H    4.252000     -0.8695000       1.832900    


%chk=000059108-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059108

0 1
O 2.218715 0.678701 -1.954621
O 3.282662 -1.391389 -0.672249
O -1.856470 -2.451878 0.451542
N -2.603323 -0.310385 0.168932
N 3.965524 -0.182282 1.192129
N -2.508620 -1.706396 -0.322317
N -3.909746 1.291222 -1.327459
C 0.392277 0.507812 0.447416
C 1.536187 1.524996 0.253216
C -0.800732 1.127686 1.205775
C 2.700526 0.983583 -0.617912
C -1.968273 0.142810 1.437635
C 3.343529 -0.297714 -0.029343
C -3.293481 0.538507 -0.625969
H 0.759835 -0.380801 0.999060
H 0.071320 0.157432 -0.551451
H 1.926939 1.862559 1.236695
H 1.145968 2.423860 -0.261797
H -0.474185 1.479389 2.205439
H -1.170583 2.021031 0.663966
H 3.484551 1.766318 -0.697474
H -1.611885 -0.782812 1.928355
H -2.753662 0.597719 2.067958
H 2.385775 -0.298700 -2.099727
H 4.021931 0.706433 1.686163
H 4.407020 -1.006499 1.600237


