%chk=000116005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116005

0 1
O -2.853911 -1.226941 -1.022972
O -1.847392 2.407826 1.011483
O 3.418345 -1.124434 0.077288
N -1.090222 -2.222227 0.223436
N 0.200142 2.326541 -0.194219
N -0.483433 0.063590 0.015461
N 1.887404 0.661359 -0.052298
N 1.219175 -1.700248 0.140502
C -2.561854 -1.907483 0.191725
C -1.219985 2.827291 -0.194108
C -2.963057 -1.057721 1.397704
C -3.333546 -3.221917 0.089084
C -1.981552 2.304748 -1.412097
C -1.193326 4.352135 -0.101052
C -0.102315 -1.266935 0.121905
C 0.539051 0.995200 -0.072222
C 2.147241 -0.689878 0.052767
C 4.487713 -0.095527 -0.013620
C 5.740232 -0.940581 0.043002
H -0.793167 -3.202494 0.211569
H 0.962746 3.007279 -0.162325
H -4.047532 -0.892496 1.410383
H -2.682833 -1.533017 2.345253
H -2.485977 -0.062261 1.388301
H -3.051229 -3.786795 -0.811246
H -3.193507 -3.861239 0.966340
H -4.410046 -3.018911 -0.012444
H -2.993354 2.727595 -1.446032
H -1.477264 2.559522 -2.351651
H -2.092818 1.206299 -1.399384
H -2.219747 4.741451 -0.026044
H -0.720650 4.818318 -0.970986
H -0.679551 4.692501 0.809473
H -2.433411 -0.321987 -1.060859
H -1.968339 1.416887 1.051023
H 4.356145 0.446908 -0.964905
H 4.371396 0.590567 0.842118
H 6.641452 -0.318847 -0.013575
H 5.788580 -1.526929 0.972254
H 5.774195 -1.665949 -0.783030


%chk=000116005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116005

0 1
O -2.969926 -1.122766 -0.809705
O -1.975498 2.365903 0.791837
O 3.348615 -1.137177 0.108943
N -1.140820 -2.209816 0.348584
N 0.184167 2.289195 -0.302750
N -0.571889 0.068107 0.021778
N 1.801715 0.624748 -0.106695
N 1.121604 -1.686756 0.230657
C -2.615595 -1.977193 0.326282
C -1.185161 2.887726 -0.324389
C -3.074673 -1.337000 1.658534
C -3.306756 -3.322821 0.067759
C -1.875814 2.586951 -1.676123
C -1.049691 4.395385 -0.070498
C -0.179208 -1.248820 0.200714
C 0.467109 0.962331 -0.129722
C 2.046990 -0.703445 0.075089
C 4.421722 -0.110725 -0.054679
C 5.743234 -0.865136 0.044710
H -0.785336 -3.167527 0.388445
H 0.998073 2.906892 -0.316256
H -4.147601 -1.089206 1.592695
H -2.918395 -2.034281 2.500876
H -2.513007 -0.412032 1.873759
H -2.984894 -3.729678 -0.905629
H -3.083127 -4.049562 0.869304
H -4.396240 -3.164687 0.030876
H -2.914289 2.957436 -1.643872
H -1.342922 3.084190 -2.506143
H -1.895338 1.503573 -1.883254
H -2.053039 4.850107 -0.067728
H -0.444998 4.882813 -0.856423
H -0.590951 4.570787 0.917303
H -2.382805 -0.313698 -0.739518
H -1.917557 1.367091 0.728293
H 4.287784 0.385859 -1.032542
H 4.305794 0.650662 0.737460
H 6.586080 -0.159157 -0.069948
H 5.837236 -1.365683 1.023361
H 5.819208 -1.631388 -0.745382


