%chk=000079726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079726

0 1
 O   -4.098100     -0.6054000     -0.2415000    
 N   -1.465600      0.3606000      0.2468000    
 N    2.234900      0.5320000     -0.2057000    
 N    5.767400     -0.5949000      0.1693000    
 C   -1.700500     -0.9620000     -0.3490000    
 C   -2.566800       1.270700     -9.7400002E-02
 C  -0.1837000      0.9075000     -0.1929000    
 C   -3.048800      -1.506700      0.1138000    
 C   -3.894300      0.6734000      0.3606000    
 C   0.9568000     -4.9000001E-03  0.2486000    
 C    3.334000     -0.3329000      0.1985000    
 C    4.664700      0.2627000     -0.2513000    
 H  -0.1643000       1.039200      -1.283300    
 H  -3.7099998E-02   1.898600      0.2559000    
 H  -0.9629000      -1.703000     -3.2299999E-02
 H   -1.685600     -0.8994000      -1.444700    
 H   -2.597300       1.437900      -1.182000    
 H   -2.426400       2.241000      0.3924000    
 H   -3.253500      -2.463700     -0.3771000    
 H   -3.066300      -1.679500       1.196900    
 H   -3.939100      0.5757000       1.452200    
 H   -4.720700       1.321700      5.2200001E-02
 H   0.9506000     -0.1073000       1.341000    
 H   0.8678000      -1.001300     -0.1910000    
 H    2.370700       1.466700      0.1785000    
 H    3.211200      -1.327700     -0.2480000    
 H    3.339100     -0.4534000       1.289500    
 H    4.805600       1.257600      0.1858000    
 H    4.686700      0.3716000      -1.341800    
 H    6.644900     -0.2125000     -0.1804000    
 H    5.667700      -1.515800     -0.2559000    


%chk=000079726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079726

0 1
O -4.314546 -0.472418 -0.117121
N -1.505717 0.256470 0.134009
N 2.280296 0.467931 -0.100734
N 5.944003 -0.451900 0.112689
C -1.918184 -1.050617 -0.442301
C -2.553485 1.277573 -0.128804
C -0.168842 0.701478 -0.329529
C -3.273757 -1.481199 0.141404
C -3.897665 0.817927 0.457276
C 0.982438 -0.148771 0.246444
C 3.472583 -0.329318 0.260865
C 4.760661 0.358064 -0.236928
H -0.084504 0.714639 -1.444434
H -0.033996 1.747203 0.014961
H -1.162552 -1.818223 -0.194614
H -1.999053 -0.994312 -1.558378
H -2.681149 1.465721 -1.225525
H -2.253024 2.230336 0.347772
H -3.635844 -2.407173 -0.335517
H -3.170556 -1.639536 1.236840
H -3.808255 0.724235 1.561337
H -4.705079 1.526530 0.208298
H 0.815981 -0.268367 1.344764
H 0.971354 -1.164420 -0.194884
H 2.347283 1.425056 0.275745
H 3.377804 -1.320889 -0.228413
H 3.577025 -0.519057 1.355742
H 4.862277 1.339560 0.268533
H 4.641220 0.565738 -1.325855
H 6.834961 0.049650 0.072170
H 5.989424 -1.355411 -0.368115


