%chk=000085865.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085865

0 1
 O    2.564500     -0.2978000     -0.2471000    
 N   -1.080800     -0.1631000      0.2942000    
 C   0.2167000      0.2630000     -0.2274000    
 C    1.305500     -0.6732000      0.2979000    
 C   0.4851000       1.718000      0.1581000    
 C   -1.346500      -1.554600     -6.9899999E-02
 C   -2.144400      0.7076000     -0.2057000    
 H   0.2303000      0.2160000      -1.326100    
 H    1.383400     -0.6266000       1.389500    
 H    1.167000      -1.717400      8.0000004E-03
 H    1.514200       2.004500     -8.5600004E-02
 H   0.3501000       1.882100       1.233500    
 H  -0.1559000       2.419500     -0.3856000    
 H   -1.188000      -1.750000      -1.136800    
 H   -2.386400      -1.818900      0.1598000    
 H  -0.7527000      -2.255600      0.5246000    
 H   -2.139300      0.7902000      -1.298800    
 H   -2.094800       1.709600      0.2318000    
 H   -3.127000      0.3223000      9.3099996E-02
 H    2.498100     -0.3656000      -1.215000    


%chk=000085865-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085865

0 1
O 2.701692 -0.319891 -0.074875
N -1.078864 -0.259606 0.203071
C 0.257987 0.224125 -0.255156
C 1.367107 -0.553400 0.506499
C 0.479845 1.733001 -0.036426
C -1.431248 -1.571415 -0.386033
C -2.202819 0.686885 0.034879
H 0.386787 0.018009 -1.354824
H 1.436475 -0.176689 1.539118
H 1.144983 -1.638030 0.547114
H 1.538321 1.964483 -0.251031
H 0.277902 2.010640 1.014660
H -0.149489 2.355561 -0.695706
H -1.608630 -1.515590 -1.491025
H -2.352354 -1.956762 0.087070
H -0.634469 -2.312797 -0.207604
H -2.438982 0.917378 -1.035115
H -1.998051 1.634867 0.555316
H -3.107777 0.245560 0.491439
H 2.710686 -0.676328 -0.998869


