%chk=000167944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167944

0 1
 O   -4.430100      0.2653000      -1.448600    
 O   -4.434700     -0.6092000      0.6449000    
 N   -3.059100       1.922300       1.097900    
 N    1.283300     -0.8506000     -2.2299999E-02
 N    3.617000      -1.029200      0.5158000    
 N    3.818700      0.3397000      0.5055000    
 C   -1.472400      0.1676000      0.4476000    
 C   -1.092800     -0.8815000     -0.6077000    
 C   -2.701300      0.9900000      3.1599998E-02
 C   0.1144000      -1.715400     -0.1907000    
 C   -3.926200      0.1228000     -0.1942000    
 C    2.351000      -1.502800      0.2862000    
 C    4.811400      0.6470000     -0.5155000    
 C    5.120800       2.134000     -0.5505000    
 H  -0.6281000      0.8464000      0.6207000    
 H   -1.669600     -0.3468000       1.397800    
 H  -0.8780000     -0.3758000      -1.557200    
 H   -1.933500      -1.561300     -0.7859000    
 H   -2.475700       1.553600     -0.8811000    
 H  -0.1100000      -2.241600      0.7455000    
 H   0.3063000      -2.466200     -0.9674000    
 H   -3.808900       2.535900      0.7800000    
 H   -2.265900       2.528900       1.303000    
 H    2.332300      -2.602400      0.3941000    
 H    5.743700      0.1003000     -0.3253000    
 H    4.443400      0.3432000      -1.503300    
 H    4.386100      -1.640700      0.7704000    
 H    4.165900      0.6238000       1.420700    
 H   -5.227900     -0.2887000      -1.586600    
 H    4.221400       2.719500     -0.7695000    
 H    5.528100       2.476500      0.4067000    
 H    5.860800       2.348500      -1.328100    


%chk=000167944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167944

0 1
O -4.429118 1.199960 -1.311461
O -4.127271 -0.679020 0.012654
N -2.366829 2.243670 0.289419
N 1.372372 -1.308138 0.590294
N 3.730305 -1.266181 0.146728
N 3.935967 0.076676 0.511211
C -1.321680 0.003526 0.477925
C -0.980990 -1.337674 -0.206323
C -2.231472 0.920748 -0.359486
C 0.128097 -2.104522 0.550743
C -3.650823 0.356696 -0.494514
C 2.463558 -1.862419 0.157935
C 4.148550 1.024510 -0.603768
C 4.375152 2.440241 -0.046700
H -0.367918 0.531861 0.674486
H -1.805178 -0.182789 1.455182
H -0.636825 -1.156026 -1.245206
H -1.886727 -1.970962 -0.257531
H -1.815690 0.977130 -1.397254
H -0.208501 -2.273468 1.594484
H 0.267076 -3.109671 0.080478
H -2.899530 2.929678 -0.252198
H -1.485498 2.604800 0.663684
H 2.519699 -2.901045 -0.243951
H 5.013150 0.733921 -1.253198
H 3.243488 1.007115 -1.237849
H 4.464118 -1.763204 -0.376600
H 4.602909 0.170227 1.287231
H -5.358889 0.846130 -1.352889
H 3.513027 2.749992 0.568618
H 5.284806 2.486768 0.582929
H 4.501064 3.164569 -0.870573


