%chk=000125379.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125379

0 1
 O   -3.066300     -0.3522000     -0.2563000    
 N    4.567200      0.8653000      0.4881000    
 C    2.523900      0.2482000     -0.7252000    
 C    3.263800      0.2084000      0.6244000    
 C    1.027800      8.7700002E-02 -0.5995000    
 C    3.494000      -1.217900       1.124200    
 C   0.4755000      -1.182100     -0.6444000    
 C   0.2354000       1.213400     -0.4417000    
 C   -1.717800     -0.2069000     -0.3691000    
 C  -0.9066000      -1.330400     -0.5285000    
 C   -1.146700       1.065100     -0.3258000    
 C   -3.761700      0.6217000      0.5209000    
 C   -4.988500     -2.0300001E-02   1.132900    
 H    2.925300     -0.5100000      -1.411300    
 H    2.709400       1.208500      -1.227800    
 H    2.695900      0.7584000       1.384200    
 H    4.075000      -1.217100       2.053700    
 H    4.037400      -1.821500      0.3886000    
 H    2.544900      -1.718100       1.339300    
 H    1.097500      -2.063200     -0.7722000    
 H   0.6706000       2.208100     -0.4101000    
 H    4.436700       1.822400      0.1625000    
 H    5.116100      0.3951000     -0.2311000    
 H   -1.345800      -2.323700     -0.5637000    
 H   -1.744100       1.966900     -0.2304000    
 H   -3.144900       1.003100       1.344300    
 H   -4.062400       1.451800     -0.1277000    
 H   -5.553000      0.7026000       1.728600    
 H   -5.643200     -0.4221000      0.3525000    
 H   -4.704600     -0.8616000       1.773900    


%chk=000125379-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125379

0 1
O -3.039431 -0.558689 0.199611
N 4.862377 0.727892 0.174384
C 2.580058 0.275808 -0.864632
C 3.457336 0.349270 0.439675
C 1.094473 0.084129 -0.605992
C 3.437337 -0.979939 1.217643
C 0.464467 -1.178794 -0.777850
C 0.293361 1.159300 -0.148200
C -1.684786 -0.272963 -0.043452
C -0.904030 -1.362216 -0.504012
C -1.082439 0.997720 0.135204
C -3.898557 0.540766 0.677789
C -5.297434 -0.041695 0.863426
H 2.972372 -0.547811 -1.494686
H 2.747915 1.218424 -1.424698
H 3.020321 1.137504 1.085798
H 4.017077 -0.881458 2.151223
H 3.891324 -1.791600 0.613827
H 2.404646 -1.279118 1.465180
H 1.055864 -2.030464 -1.135878
H 0.747262 2.149940 -0.016327
H 4.970732 1.623259 -0.315240
H 5.406034 -0.016424 -0.277675
H -1.389155 -2.333705 -0.641707
H -1.663807 1.856907 0.483037
H -3.497263 0.935710 1.634277
H -3.899983 1.361384 -0.069506
H -5.992625 0.740966 1.218027
H -5.679796 -0.444929 -0.089837
H -5.282848 -0.859575 1.603890


