%chk=000133781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133781

0 1
 O   0.9486000     -0.2329000     -0.5164000    
 O   2.7999999E-03  -1.340000       1.766600    
 O   -4.321400      0.2443000      -1.304200    
 O  -0.5569000      9.6699998E-02  -2.211700    
 N   -1.232000     -0.9063000     -0.2224000    
 N   -3.666400       2.261500      0.7382000    
 N   -4.178100       3.196600      0.9104000    
 C   -2.613900      -1.117900     -0.6357000    
 C   -3.092900      -2.228200      0.2862000    
 C   -2.315200      -1.996700       1.573700    
 C   -1.014400      -1.400000       1.090800    
 C   -3.379600      0.1578000     -0.4687000    
 C  -0.2956000     -0.3096000      -1.081200    
 C   -2.975400      0.9966000      0.5054000    
 C    1.970100      0.3611000      -1.325200    
 C    3.260500      0.3655000     -0.5594000    
 C    3.579600       1.453300      0.2456000    
 C    4.125400     -0.7185000     -0.6613000    
 C    4.778900       1.457500      0.9577000    
 C    5.324700     -0.7143000      5.0999999E-02
 C    5.651400      0.3737000      0.8605000    
 H   -2.600300      -1.458100      -1.681500    
 H   -2.804000      -3.200700     -0.1339000    
 H   -4.175100      -2.250100      0.4486000    
 H   -2.132700      -2.936000       2.102700    
 H   -2.817800      -1.293600       2.243600    
 H   -2.147900      0.8237000       1.178300    
 H    1.682900       1.386500      -1.589700    
 H    2.083500     -0.2090000      -2.255700    
 H    2.906100       2.301700      0.3306000    
 H    3.879700      -1.572000      -1.287000    
 H    5.033100       2.304300       1.588600    
 H    6.003800      -1.558500     -2.4100000E-02
 H    6.585100      0.3766000       1.415300    


%chk=000133781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133781

0 1
O 1.126345 -1.495431 -1.030095
O -0.316619 -3.317152 0.473471
O -3.626788 1.286511 0.485799
O -0.077289 0.351265 -1.831584
N -1.118814 -1.268871 -0.502368
N -1.486601 1.853450 2.235830
N -1.660016 2.754057 2.972218
C -2.408246 -0.535825 -0.563461
C -3.465251 -1.648158 -0.296110
C -2.714855 -2.654191 0.602266
C -1.235385 -2.516664 0.212833
C -2.547824 0.621493 0.464352
C -0.003576 -0.721477 -1.178671
C -1.412671 0.858507 1.358876
C 2.389982 -0.920507 -1.641715
C 3.073104 0.024459 -0.680220
C 2.847223 1.423067 -0.763439
C 3.942899 -0.480218 0.320548
C 3.481936 2.302302 0.142257
C 4.575219 0.397989 1.227668
C 4.346445 1.791721 1.138972
H -2.530235 -0.070198 -1.555792
H -3.748314 -2.121565 -1.252097
H -4.370993 -1.223975 0.162525
H -3.029285 -3.701711 0.473606
H -2.815892 -2.408532 1.676797
H -0.486723 0.284822 1.332279
H 2.115000 -0.425606 -2.587989
H 2.980779 -1.829586 -1.830228
H 2.164714 1.810214 -1.528108
H 4.116274 -1.560827 0.390622
H 3.305225 3.381112 0.069980
H 5.245982 0.000321 1.997211
H 4.840848 2.474207 1.839466


