%chk=000114247.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114247

0 1
 O    1.495700     -0.4358000     -0.8254000    
 O   -3.832300     -3.1900000E-02  0.5276000    
 N    3.919300       1.848600      0.6847000    
 C   0.1801000     -0.3362000     -0.4910000    
 C    2.332200      -1.192900      4.8099998E-02
 C  -0.5469000      0.7984000     -0.8516000    
 C  -0.4412000      -1.368300      0.2124000    
 C   -2.516300     -0.1309000      0.1945000    
 C   -1.895100      0.9011000     -0.5088000    
 C   -1.789500      -1.265500      0.5551000    
 C    3.761500     -0.6760000     -3.8100000E-02
 C   -4.516100       1.154300      0.1263000    
 C    3.848600      0.7351000      0.3662000    
 H    2.001600      -1.111400       1.092600    
 H    2.308300      -2.245100     -0.2582000    
 H  -6.6900000E-02   1.605000      -1.399200    
 H   8.0600001E-02  -2.279600      0.4888000    
 H   -2.399800       1.809300     -0.8200000    
 H   -2.270200      -2.075000       1.097700    
 H    4.120300     -0.7665000      -1.070000    
 H    4.414100      -1.287100      0.5946000    
 H   -4.094700       2.043800      0.6067000    
 H   -5.550800       1.063900      0.4730000    
 H   -4.551600       1.248900     -0.9644000    


%chk=000114247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114247

0 1
O 1.584631 -0.055445 -0.453055
O -3.989529 -0.127788 0.427085
N 4.805260 1.400856 0.936742
C 0.195174 -0.119697 -0.200641
C 2.420090 -1.118617 0.102406
C -0.564837 0.957510 -0.706128
C -0.445713 -1.172068 0.500813
C -2.606190 -0.057913 0.181136
C -1.961951 0.994267 -0.519804
C -1.842201 -1.134974 0.687806
C 3.870396 -0.777507 -0.283204
C -4.816065 0.970100 -0.075576
C 4.381787 0.430444 0.388008
H 2.303836 -1.172958 1.203389
H 2.146707 -2.099256 -0.339341
H -0.048011 1.761457 -1.238895
H 0.119185 -2.018165 0.903799
H -2.528391 1.840917 -0.918561
H -2.358069 -1.935251 1.226905
H 3.925259 -0.630680 -1.377456
H 4.525769 -1.631510 -0.026673
H -4.523408 1.937626 0.377940
H -5.843804 0.717743 0.224326
H -4.759024 1.047110 -1.179418


