%chk=000093061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093061

0 1
 O   -3.141600      -2.032900      0.4460000    
 O   -1.867800      -2.067900      -1.476700    
 O    1.814900      -1.483700       1.470100    
 O    3.319200       1.622300     -0.6882000    
 N   0.2492000      -1.130200     -0.2114000    
 N   -2.906400       4.741600     -2.3399999E-02
 N    3.785000     -0.6222000     -0.2728000    
 C   -1.347300      0.1552000       1.125700    
 C   -1.659900       1.143200     -1.7000000E-03
 C  -0.9369000      -1.221500      0.6038000    
 C   -2.133100       2.488700      0.5542000    
 C   -2.478000       3.460800     -0.5728000    
 C   -2.004800      -1.829700     -0.2834000    
 C    1.535900      -1.269900      0.2929000    
 C    2.577000      -1.181900     -0.8027000    
 C   -4.251200      -2.572600     -0.2788000    
 C    4.059500      0.7414000     -0.2584000    
 C    5.386200       1.059300      0.3774000    
 H   -2.227300      5.4800000E-02   1.773000    
 H  -0.5421000      0.5649000       1.748700    
 H  -0.7701000       1.305300     -0.6213000    
 H   -2.441900      0.7410000     -0.6559000    
 H  -0.7394000      -1.907400       1.435200    
 H   -3.013200       2.332500       1.190800    
 H   -1.347200       2.917400       1.189000    
 H   0.1310000     -0.9488000      -1.204600    
 H   -1.603400       3.622000      -1.212100    
 H   -3.277200       3.048300      -1.198300    
 H    2.225000     -0.5637000      -1.634400    
 H    2.792000      -2.190600      -1.167300    
 H   -3.182000       5.360600     -0.7846000    
 H   -3.737500       4.608100      0.5512000    
 H    4.461200      -1.261900      0.1344000    
 H   -5.087800      -2.686400      0.4156000    
 H   -3.995900      -3.555700     -0.6856000    
 H   -4.549300      -1.888000      -1.078700    
 H    6.157900      0.3746000      1.4200000E-02
 H    5.679800       2.081600      0.1240000    
 H    5.299100      0.9667000       1.463400    


%chk=000093061-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093061

0 1
O -3.153429 -2.110612 -0.077094
O -1.589772 -1.916469 -1.793446
O 1.358758 -2.216877 2.085563
O 2.073993 0.119263 -1.756155
N 0.446567 -1.481673 0.062765
N -1.807536 4.889255 0.624054
N 3.362437 -0.338231 0.113833
C -1.334403 -0.105016 1.193296
C -1.329749 1.073537 0.196279
C -0.931997 -1.476478 0.561250
C -1.578517 2.429135 0.893389
C -1.606614 3.612863 -0.094482
C -1.877635 -1.856399 -0.577414
C 1.495070 -1.838119 0.879352
C 2.883617 -1.730613 0.205879
C -4.180286 -2.467116 -1.087771
C 2.924084 0.507615 -0.888128
C 3.509476 1.912938 -0.895266
H -2.337570 -0.216798 1.646384
H -0.619897 0.086547 2.016398
H -0.358479 1.109480 -0.337253
H -2.104526 0.910637 -0.581526
H -1.004302 -2.241987 1.355998
H -2.542306 2.389924 1.445524
H -0.791267 2.623706 1.647433
H 0.651228 -1.138742 -0.888840
H -0.632400 3.665134 -0.619226
H -2.378415 3.405733 -0.877574
H 2.841078 -2.145638 -0.817042
H 3.593004 -2.313892 0.812830
H -1.695085 5.724603 0.040838
H -2.679230 4.920912 1.163937
H 3.979633 0.015501 0.845597
H -5.102153 -2.615499 -0.508751
H -3.887836 -3.389994 -1.615837
H -4.294727 -1.651321 -1.821171
H 4.263625 2.079863 -0.107428
H 3.972385 2.102586 -1.878657
H 2.694774 2.647542 -0.771037


