%chk=000110860.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110860

0 1
 O  -0.9698000     -8.9999996E-03  -2.055500    
 N   -1.942500      0.5519000      5.5199999E-02
 N    1.403100       1.047200     -0.9453000    
 C   -1.577400       1.469400       1.132900    
 C   9.8700002E-02   1.558200     -0.5623000    
 C  -7.1400002E-02   1.625700      0.9478000    
 C  -0.9813000      0.5817000     -0.9848000    
 C   -2.298400       2.814000       1.020600    
 C   -3.135800     -0.2393000      8.2699999E-02
 C    2.464600       1.961500     -0.5417000    
 C    3.839500       1.398800     -0.9040000    
 C   -3.442400      -1.085100     -0.9865000    
 C   -4.000300     -0.1691000       1.178300    
 C    4.083800      6.6000000E-02 -0.2424000    
 C   -4.605000      -1.855500     -0.9600000    
 C   -5.162900     -0.9394000       1.204700    
 C   -5.465200      -1.782700      0.1355000    
 C    4.676000      2.6400000E-02   1.010900    
 C    3.712500      -1.098200     -0.8980000    
 C    4.902200      -1.206400       1.623000    
 C    3.938600      -2.331000     -0.2858000    
 C    4.533500      -2.385100      0.9747000    
 H   -1.757700       1.017900       2.114200    
 H  -0.1152000       2.521700      -1.040800    
 H   0.4359000      0.7805000       1.434300    
 H   0.3199000       2.548200       1.388500    
 H    1.437900      0.9163000      -1.956300    
 H   -2.130300       3.289500      4.8599999E-02
 H   -3.380200       2.695800       1.136300    
 H   -1.952600       3.501800       1.799300    
 H    2.338900       2.931000      -1.038900    
 H    2.444800       2.139500      0.5396000    
 H    4.618700       2.111000     -0.6041000    
 H    3.935700       1.296300      -1.993100    
 H   -2.822100      -1.193500      -1.865300    
 H   -3.813700      0.4713000       2.033700    
 H   -4.841300      -2.512800      -1.791900    
 H   -5.833500     -0.8828000       2.057200    
 H   -6.370500      -2.382500      0.1560000    
 H    4.964800      0.9387000       1.524800    
 H    3.254900      -1.070500      -1.882800    
 H    5.364800      -1.248600       2.604700    
 H    3.652900      -3.248900     -0.7912000    
 H    4.709700      -3.345000       1.451200    


%chk=000110860-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110860

0 1
O -1.199766 0.303554 -2.179435
N -2.150303 0.502995 0.008723
N 1.278722 0.882746 -0.884622
C -1.726469 1.089402 1.326398
C 0.026772 1.421899 -0.342156
C -0.185331 1.212233 1.173961
C -1.167252 0.677081 -0.970889
C -2.415819 2.446229 1.598916
C -3.427431 -0.120079 -0.167552
C 2.458289 1.759267 -0.731158
C 3.753890 1.075329 -1.241386
C -3.839592 -0.616307 -1.437985
C -4.307650 -0.262734 0.942501
C 4.339466 0.028501 -0.300687
C -5.098235 -1.236405 -1.576991
C -5.561732 -0.888964 0.786098
C -5.970015 -1.380054 -0.473616
C 5.637820 0.207193 0.243871
C 3.613797 -1.140814 0.054241
C 6.201114 -0.750578 1.119120
C 4.173956 -2.098737 0.928692
C 5.469984 -1.909800 1.464320
H -1.976807 0.372278 2.128449
H -0.102255 2.508056 -0.593188
H 0.316164 0.270692 1.458057
H 0.214677 2.030929 1.794597
H 1.133498 0.582113 -1.862436
H -2.101695 3.200997 0.855985
H -3.515207 2.364382 1.554395
H -2.137173 2.814637 2.602761
H 2.328599 2.730028 -1.274982
H 2.578486 2.007382 0.340826
H 4.509530 1.864293 -1.418091
H 3.538044 0.625487 -2.233088
H -3.168514 -0.518881 -2.292883
H -4.027820 0.105221 1.933279
H -5.395572 -1.612377 -2.562461
H -6.220104 -0.989917 1.656247
H -6.945103 -1.864162 -0.592333
H 6.214311 1.102705 -0.022037
H 2.602981 -1.275026 -0.344529
H 7.206776 -0.593314 1.526236
H 3.600492 -2.995988 1.189994
H 5.904379 -2.656595 2.138840


