%chk=000027226.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027226

0 1
 O   0.1226000     -0.3976000      0.6489000    
 O   -1.124400       1.994400     -2.1700000E-02
 N   -5.291300     -0.3324000     -0.6258000    
 C   0.9596000      -1.204500     -0.1703000    
 C   -1.210400     -0.3718000      0.3330000    
 C    2.339500     -0.6381000     -0.1782000    
 C   -1.828600      0.8285000     -8.9999998E-04
 C   -1.934800      -1.559200      0.3517000    
 C   -3.186400      0.8417000     -0.3199000    
 C   -3.918400     -0.3456000     -0.3032000    
 C   -3.292700      -1.546000      3.2699998E-02
 C    2.700600      0.3049000      -1.140600    
 C    3.268700      -1.051400      0.7763000    
 C    3.990900      0.8347000      -1.148200    
 C    4.559000     -0.5217000      0.7686000    
 C    4.920100      0.4214000     -0.1936000    
 C   -1.073900       2.742900       1.191200    
 H   0.5769000      -1.259700      -1.198800    
 H   0.9718000      -2.228100      0.2244000    
 H   -1.462400      -2.499800      0.6203000    
 H   -3.669300       1.780300     -0.5820000    
 H   -3.852700      -2.477500      5.1399998E-02
 H    1.984600      0.6370000      -1.887800    
 H    2.999200      -1.784000       1.532500    
 H    4.271800       1.569600      -1.896800    
 H    5.282400     -0.8429000       1.512200    
 H    5.924800      0.8342000     -0.1993000    
 H   -5.822400      -1.192800     -0.6136000    
 H   -5.745800      0.5377000     -0.8692000    
 H  -0.4730000       3.639300       1.015800    
 H  -0.6032000       2.156300       1.986600    
 H   -2.079900       3.049300       1.495000    


%chk=000027226-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027226

0 1
O 0.061192 0.107100 0.120921
O -1.682438 2.331629 -0.185721
N -5.542618 -0.579540 -0.465402
C 0.946334 -1.064695 0.083487
C -1.329704 -0.133722 0.016097
C 2.381240 -0.576944 0.030581
C -2.172255 1.011959 -0.113862
C -1.924313 -1.415530 0.011513
C -3.561872 0.851382 -0.270522
C -4.159022 -0.439805 -0.299845
C -3.318202 -1.574582 -0.146163
C 2.725158 0.587490 -0.700632
C 3.402299 -1.312836 0.679973
C 4.072132 1.004129 -0.782775
C 4.751698 -0.901371 0.590058
C 5.090569 0.259426 -0.142279
C -0.817242 2.791654 0.921097
H 0.701578 -1.668202 -0.818094
H 0.782438 -1.700541 0.978374
H -1.306572 -2.312320 0.119754
H -4.166516 1.758998 -0.373810
H -3.749955 -2.582135 -0.153884
H 1.930624 1.164257 -1.185180
H 3.144708 -2.207568 1.260911
H 4.328011 1.908085 -1.347097
H 5.533149 -1.478991 1.096539
H 6.135423 0.582955 -0.208855
H -5.973470 -1.498313 -0.480486
H -6.136292 0.234282 -0.588761
H -0.587561 3.841877 0.683003
H 0.107231 2.194281 0.978214
H -1.362853 2.736691 1.883546


