%chk=000119038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119038

0 1
 O   -4.410800       1.211100     -0.5618000    
 N    1.350000      0.3375000     -0.7693000    
 N  -0.9780000     -0.3901000      0.9255000    
 C    1.142600      -1.701900      0.6983000    
 C  -0.3309000      -1.455600      -1.263900    
 C    2.071700     -0.5890000      0.1294000    
 C   0.4935000      -2.463500     -0.4602000    
 C   -1.474800     -0.9005000     -0.3725000    
 C   0.6368000     -0.3926000      -1.828300    
 C   2.4499999E-02  -1.203400       1.628200    
 C    2.779800      0.1932000       1.251100    
 C    2.253000       1.335400      -1.361500    
 C    3.722600       1.247800      0.6803000    
 C   -2.305600      0.1744000      -1.093500    
 C    2.971400       2.151900     -0.2883000    
 C   -1.758500      0.5081000       1.638300    
 C   -3.309900      0.8324000     -0.1704000    
 C   -2.877500       1.104800       1.218700    
 H    1.765200      -2.404000       1.268200    
 H  -0.7865000      -1.976900      -2.115900    
 H    2.853500      -1.098200     -0.4552000    
 H    1.261000      -2.926200      -1.092700    
 H  -0.1421000      -3.275700     -8.6800002E-02
 H   -2.150100      -1.737000     -0.1397000    
 H    1.358100     -0.8919000      -2.490800    
 H   8.5400000E-02  0.3087000      -2.463600    
 H  -0.4877000      -2.069500       2.068400    
 H   0.4540000     -0.6502000       2.470300    
 H    3.347500     -0.4953000       1.887900    
 H    2.050600      0.6999000       1.893700    
 H    1.678000       2.028700      -1.987300    
 H    2.995200      0.8516000      -2.010200    
 H    4.554300      0.7573000      0.1601000    
 H    4.155100       1.843600       1.491600    
 H   -2.842500     -0.2799000      -1.933700    
 H   -1.684400      0.9873000      -1.483000    
 H    2.241200       2.756100      0.2649000    
 H    3.671500       2.850000     -0.7610000    
 H   -1.401100      0.6846000       2.647500    
 H   -3.463600       1.764700       1.844100    


%chk=000119038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119038

0 1
O -4.470734 1.311432 -0.706942
N 1.387621 0.330206 -0.780870
N -1.030258 -0.415731 0.966756
C 1.149829 -1.678449 0.722883
C -0.342856 -1.442066 -1.249799
C 2.103134 -0.592378 0.144106
C 0.481209 -2.461058 -0.430640
C -1.496817 -0.871458 -0.376463
C 0.628829 -0.390682 -1.830081
C 0.037174 -1.167231 1.665340
C 2.833462 0.210966 1.244605
C 2.300109 1.329513 -1.394950
C 3.805770 1.245484 0.637155
C -2.280767 0.259210 -1.071184
C 3.035699 2.167630 -0.333593
C -1.882487 0.371388 1.701908
C -3.399410 0.852531 -0.189647
C -3.059652 0.933377 1.221530
H 1.780274 -2.363926 1.324041
H -0.827750 -1.951461 -2.106065
H 2.893501 -1.158102 -0.431044
H 1.247303 -2.935634 -1.073177
H -0.165163 -3.268167 -0.032716
H -2.208561 -1.716358 -0.198236
H 1.321738 -0.929092 -2.533096
H 0.084164 0.356504 -2.436141
H -0.401496 -2.057303 2.173026
H 0.453208 -0.516522 2.454692
H 3.373444 -0.493929 1.907291
H 2.088840 0.750857 1.861012
H 1.696036 1.986909 -2.048855
H 3.061022 0.822293 -2.048619
H 4.613244 0.720082 0.086070
H 4.290879 1.836628 1.436463
H -2.720949 -0.108995 -2.014250
H -1.594114 1.092989 -1.316730
H 2.295186 2.766808 0.230443
H 3.724678 2.872539 -0.836748
H -1.584684 0.527373 2.746584
H -3.708157 1.501525 1.892840


