%chk=000100381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100381

0 1
 O   0.7963000       1.218000       1.355000    
 O    3.633500      -2.476800      0.3435000    
 N    1.697700       1.272400     -0.7836000    
 N    3.549000      -1.116500      0.6504000    
 C  -0.6740000       1.636600     -0.5231000    
 C   -1.700900      0.5815000     -0.2835000    
 C   0.6660000       1.352700      0.1410000    
 C   -1.813400     -0.4948000      -1.163500    
 C   -2.548900      0.6716000      0.8203000    
 C    3.066400       1.015300     -0.4016000    
 C   -2.774000      -1.481300     -0.9397000    
 C   -3.509400     -0.3149000       1.044200    
 C   -3.622000      -1.391200      0.1641000    
 C    3.233700     -0.4728000     -0.4235000    
 H  -0.5536000       1.792100      -1.602400    
 H   -1.025300       2.602200     -0.1362000    
 H   -1.157000     -0.5771000      -2.025900    
 H   -2.470500       1.504100       1.514500    
 H    1.498300       1.377500      -1.773900    
 H    3.275800       1.423900      0.5905000    
 H    3.722900       1.465600      -1.149900    
 H   -2.861300      -2.319700      -1.624500    
 H   -4.169400     -0.2452000       1.903900    
 H   -4.369700      -2.159300      0.3386000    
 H    3.083000     -0.9857000      -1.391000    
 H    3.870700      -2.857300       1.206000    


%chk=000100381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100381

0 1
O 1.512571 2.712496 -0.156559
O 4.476278 -1.393142 1.963874
N 1.090591 0.461972 -0.592729
N 4.114814 -0.395585 0.945628
C -0.818506 1.961858 -0.032120
C -1.721490 0.760457 -0.250169
C 0.698266 1.749095 -0.264077
C -2.281975 0.496689 -1.528612
C -2.009152 -0.137822 0.812265
C 2.503126 0.104558 -0.804806
C -3.105927 -0.631624 -1.741068
C -2.833193 -1.267440 0.603930
C -3.383948 -1.518575 -0.674476
C 3.040112 -0.777387 0.305485
H -1.104414 2.800196 -0.693210
H -0.908220 2.343558 1.001772
H -2.075764 1.184775 -2.357771
H -1.591659 0.055548 1.808176
H 0.369765 -0.259262 -0.672541
H 3.079734 1.043708 -0.845461
H 2.607558 -0.416274 -1.777269
H -3.534308 -0.815438 -2.732749
H -3.049469 -1.945616 1.437030
H -4.026481 -2.391147 -0.836068
H 2.519824 -1.720242 0.545694
H 5.275769 -0.984457 2.385531


