%chk=000212395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212395

0 1
O 3.268761 -0.869121 -0.475007
O 3.515829 1.303801 0.190015
N -1.005821 0.495419 -0.417937
N 1.774414 0.689961 -1.252801
N -4.497682 -0.478009 0.608469
C -0.185783 -0.744502 -0.619733
C -0.144108 1.615879 0.085171
C 0.919327 -0.461053 -1.657257
C 0.969969 1.907938 -0.940185
C -2.149507 0.240033 0.517248
C -3.310668 -0.367741 -0.301050
C 2.885027 0.460410 -0.416173
C -4.464950 -1.755090 1.381925
C -5.770163 -0.375692 -0.166129
C 4.538571 -1.212907 0.167639
C 4.360394 -1.277338 1.670006
H -0.856073 -1.542492 -1.006272
H 0.265887 -1.128732 0.320384
H 0.300686 1.412351 1.083023
H -0.783665 2.519760 0.192504
H 1.551359 -1.364107 -1.811269
H 0.464865 -0.197593 -2.640781
H 0.528559 2.258760 -1.901606
H 1.642475 2.713064 -0.565066
H -1.884400 -0.415961 1.371843
H -2.495691 1.200110 0.962244
H -3.542096 0.313689 -1.149816
H -3.009319 -1.333071 -0.756257
H -3.531304 -1.801865 1.964064
H -5.296293 -1.753404 2.105439
H -4.539583 -2.668213 0.773809
H -5.912814 -1.152178 -0.931193
H -6.620290 -0.419923 0.533642
H -5.810596 0.610508 -0.656854
H 4.735619 -2.197843 -0.293745
H 5.299650 -0.472853 -0.138234
H 5.259745 -1.660888 2.165182
H 4.157894 -0.276092 2.083419
H 3.518776 -1.921214 1.951839


%chk=000212395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212395

0 1
O 3.570928 -0.878697 -0.600820
O 3.759415 1.377721 0.051735
N -1.145987 0.454208 -0.175176
N 1.695521 0.459979 -0.588918
N -4.863539 -0.324756 0.249986
C -0.388154 -0.822711 -0.228904
C -0.298421 1.525650 0.410690
C 0.882717 -0.665659 -1.087875
C 0.968366 1.735518 -0.439044
C -2.452473 0.330775 0.520667
C -3.506652 -0.393591 -0.344308
C 3.050800 0.410039 -0.345263
C -5.021066 -1.178775 1.446243
C -5.918046 -0.595212 -0.749760
C 5.023457 -1.039510 -0.314280
C 5.263334 -1.363479 1.163237
H -1.023448 -1.605327 -0.679264
H -0.096422 -1.163993 0.798459
H 0.004103 1.286054 1.462352
H -0.879202 2.465921 0.428654
H 1.487391 -1.583339 -1.062815
H 0.581836 -0.462174 -2.135995
H 0.674583 2.109063 -1.440866
H 1.646656 2.465894 0.030351
H -2.337583 -0.173681 1.513116
H -2.838850 1.347684 0.716094
H -3.529705 0.117906 -1.323699
H -3.200464 -1.455529 -0.535075
H -4.300178 -0.885599 2.227777
H -6.036926 -1.048345 1.860143
H -4.873534 -2.268628 1.228404
H -5.879325 -1.632875 -1.170872
H -6.911509 -0.454737 -0.286856
H -5.828025 0.117748 -1.588289
H 5.325746 -1.869707 -0.973740
H 5.545079 -0.111379 -0.606555
H 6.338334 -1.560570 1.334753
H 4.963232 -0.512608 1.797562
H 4.695012 -2.259477 1.468648


