%chk=000162683.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162683

1 1
 O  -0.4513000      -2.013600     -0.2778000    
 N   -3.016600     -0.6896000      0.1504000    
 N  -0.1301000       1.452800     -0.1270000    
 N   0.4826000      0.1820000     -0.2383000    
 C   -1.779800     -6.1799999E-02  2.3100000E-02
 C   -1.495000       1.240900      8.0899999E-02
 C  -0.5217000     -0.7981000     -0.2141000    
 C   -4.123000      0.2421000     -0.3532000    
 C   -3.277000      -1.030400       1.621100    
 C   -3.050900      -1.985800     -0.6684000    
 C   -2.444300       2.372500      0.2758000    
 C    1.872000     -2.9800000E-02 -5.7000000E-02
 C   0.3348000       2.524000      -1.002500    
 C    2.455600      -1.241400     -0.4402000    
 C    2.669800      0.9714000      0.5059000    
 C    3.823300      -1.450000     -0.2621000    
 C    4.037500      0.7627000      0.6837000    
 C    4.614100     -0.4479000      0.2997000    
 H   -4.413200      0.9616000      0.4120000    
 H   -3.844600      0.6696000      -1.321700    
 H   -5.016100     -0.3747000     -0.5141000    
 H   -2.490400      -1.706400       1.972600    
 H   -3.277500     -0.1058000       2.207500    
 H   -4.254000      -1.519300       1.686500    
 H   -4.097100      -2.301400     -0.7522000    
 H   -2.658200      -1.797500      -1.673300    
 H   -2.528100      -2.785900     -0.1377000    
 H   -3.076900       2.235200       1.156500    
 H   -3.028200       2.595600     -0.6205000    
 H   -1.885500       3.290200      0.4985000    
 H  -0.2660000       2.559100      -1.918800    
 H    1.376800       2.408700      -1.312700    
 H   0.2473000       3.490000     -0.4950000    
 H    1.880100      -2.034500     -0.9064000    
 H    2.254400       1.914900      0.8480000    
 H    4.273900      -2.390100     -0.5666000    
 H    4.652500       1.540000       1.127700    
 H    5.679000     -0.6103000      0.4385000    


%chk=000162683-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162683

1 1
O -0.386654 -2.006162 0.299624
N -3.108063 -0.735665 0.250792
N -0.177142 1.468977 -0.370184
N 0.426317 0.197198 -0.186450
C -1.829430 -0.012661 -0.013241
C -1.553983 1.339831 -0.283123
C -0.584036 -0.771659 0.053930
C -4.342337 0.151520 0.161837
C -3.054638 -1.356371 1.664238
C -3.254074 -1.877744 -0.778366
C -2.419933 2.553567 -0.514202
C 1.840362 0.011165 0.000468
C 0.574756 2.578823 -0.991066
C 2.477856 -1.040859 -0.697033
C 2.559914 0.825858 0.910482
C 3.854169 -1.270714 -0.485285
C 3.940294 0.599725 1.094477
C 4.589093 -0.448302 0.399656
H -4.290015 0.930351 0.935162
H -4.400712 0.600583 -0.839304
H -5.227122 -0.479578 0.335100
H -2.170795 -2.010552 1.709322
H -2.970830 -0.539574 2.396312
H -3.978434 -1.933270 1.827532
H -4.167904 -2.445496 -0.542294
H -3.320558 -1.431628 -1.781612
H -2.363610 -2.518718 -0.695573
H -3.086102 2.751293 0.341692
H -3.047186 2.446182 -1.416429
H -1.805299 3.455454 -0.652354
H 0.177738 2.812059 -1.993570
H 1.625587 2.273458 -1.094419
H 0.541546 3.477241 -0.353442
H 1.900352 -1.675309 -1.374852
H 2.045884 1.608287 1.480234
H 4.351917 -2.088703 -1.015311
H 4.503413 1.227654 1.792210
H 5.657863 -0.627263 0.553842


