%chk=000161430.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161430

0 1
 O    3.094800      -2.481400     -0.7061000    
 O    1.499500      -1.281600      -1.806700    
 O    4.142200      0.6865000       1.235900    
 N    2.226000      0.5887000      0.4108000    
 N   -1.268900       1.452400     -0.7231000    
 N    3.491800      0.8817000      0.2045000    
 C    1.267000       1.383700     -0.4093000    
 C  -0.5007000     -0.2655000      0.4578000    
 C  -0.1355000      0.8809000     -0.2129000    
 C    1.929300     -0.8587000      0.5407000    
 C   0.5144000      -1.144200       1.096400    
 C   -1.915700     -0.3804000      0.3867000    
 C   -2.372400      0.7108000     -0.3592000    
 C    1.346700       2.874800     -3.4899998E-02
 C    2.125200      -1.537700     -0.7888000    
 C   -2.857100      -1.307700      0.8765000    
 C   -3.728100      0.9194000     -0.6369000    
 C   -4.216000      -1.109600      0.6070000    
 C   -4.642500     -1.2400000E-02 -0.1382000    
 H    1.513300       1.283800      -1.475800    
 H    2.624300      -1.315800       1.260400    
 H   0.5040000     -0.9536000       2.177000    
 H   0.2494000      -2.197000      0.9414000    
 H   -1.299700       2.295200      -1.280200    
 H    2.346800       3.285100     -0.2115000    
 H   0.6507000       3.472200     -0.6346000    
 H    1.094100       3.035700       1.020000    
 H   -2.539500      -2.168600       1.457800    
 H   -4.061700       1.772100      -1.218900    
 H   -4.945800      -1.821500      0.9833000    
 H   -5.702800      0.1215000     -0.3365000    
 H    3.236800      -2.936600      -1.563400    


%chk=000161430-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161430

0 1
O 1.909060 -2.848310 -0.793301
O 2.535156 -0.939318 -1.957261
O 4.133822 0.513188 1.526435
N 2.220190 0.652625 0.347152
N -1.275498 1.472817 -0.759837
N 3.323341 1.287792 0.894870
C 1.279315 1.484648 -0.461122
C -0.419381 -0.252445 0.466692
C -0.102116 0.906703 -0.239695
C 2.012083 -0.805439 0.475840
C 0.633233 -1.103290 1.131785
C -1.857804 -0.417724 0.396293
C -2.370978 0.680662 -0.383937
C 1.380776 2.984149 -0.100888
C 2.179606 -1.481163 -0.889878
C -2.765259 -1.382933 0.906587
C -3.746268 0.832799 -0.659975
C -4.139509 -1.236271 0.633577
C -4.624673 -0.141004 -0.140401
H 1.569370 1.354057 -1.526438
H 2.836213 -1.166380 1.126752
H 0.706347 -0.885348 2.214981
H 0.416005 -2.180621 1.028166
H -1.326299 2.323841 -1.315205
H 2.394339 3.366783 -0.292776
H 0.670649 3.558995 -0.723351
H 1.137735 3.154467 0.961101
H -2.405471 -2.228348 1.503815
H -4.125603 1.671742 -1.254001
H -4.852130 -1.973169 1.020184
H -5.699451 -0.054994 -0.334913
H 2.043105 -3.276312 -1.682050


