%chk=000198477.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198477

0 1
I 7.213017 0.653138 0.698618
O -6.185876 -0.268168 0.494529
O 0.616892 -1.775351 -0.461430
N -3.448417 0.413723 0.041087
N 0.250896 0.467240 -0.697299
C -4.275788 1.165883 1.041902
C -3.912446 -1.012102 -0.029616
C -1.992285 0.486455 0.385285
C -5.747753 1.100979 0.601273
C -5.391969 -1.025207 -0.442899
C -1.202215 0.305729 -0.930791
C 1.063084 -0.641389 -0.452587
C 2.505952 -0.312502 -0.194027
C 3.096264 -0.768945 0.991514
C 3.259777 0.399920 -1.134694
C 4.443771 -0.493352 1.248846
C 4.608832 0.672898 -0.882175
C 5.178455 0.226897 0.308984
H -3.936158 2.222959 1.056867
H -4.175589 0.767756 2.074456
H -3.784558 -1.557067 0.930886
H -3.300946 -1.545310 -0.789370
H -1.760870 1.477863 0.828561
H -1.671029 -0.273096 1.130512
H -6.430634 1.510421 1.365745
H -5.906261 1.605766 -0.368152
H -5.539353 -0.609858 -1.455308
H -5.837202 -2.032844 -0.370948
H -1.395506 -0.707667 -1.359369
H -1.537210 1.047707 -1.689054
H 0.600752 1.413403 -0.601225
H 2.508640 -1.348652 1.706690
H 2.805124 0.731948 -2.068899
H 4.904714 -0.847347 2.173271
H 5.199094 1.225273 -1.615884


%chk=000198477-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198477

0 1
I 7.351886 0.315594 0.642489
O -6.191429 -0.414746 0.612653
O 0.467579 -1.653476 -0.048839
N -3.481581 0.445327 0.017975
N 0.234432 0.536674 -0.790125
C -4.401015 1.294707 0.818527
C -3.808200 -0.992488 0.221436
C -2.049539 0.745314 0.240343
C -5.856444 1.004593 0.413456
C -5.270133 -1.256383 -0.171186
C -1.212722 0.397272 -1.018060
C 0.991470 -0.523946 -0.315652
C 2.467136 -0.273776 -0.127382
C 3.172909 -1.154682 0.729720
C 3.179709 0.764074 -0.781448
C 4.555354 -0.994412 0.956569
C 4.565870 0.934643 -0.569192
C 5.241604 0.056366 0.306506
H -4.171735 2.359664 0.623204
H -4.286833 1.110383 1.916434
H -3.654075 -1.290369 1.288637
H -3.141377 -1.618234 -0.398692
H -1.947836 1.826422 0.456980
H -1.628962 0.190934 1.112897
H -6.565767 1.566713 1.043374
H -6.003348 1.278672 -0.653887
H -5.406920 -1.051881 -1.254986
H -5.561102 -2.296189 0.051219
H -1.395055 -0.651493 -1.304882
H -1.520326 1.045735 -1.857016
H 0.657292 1.461353 -0.874100
H 2.617758 -1.969802 1.204953
H 2.681559 1.430000 -1.496085
H 5.085973 -1.677487 1.625454
H 5.107068 1.732024 -1.085994


