%chk=000257808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257808

0 1
O -3.159756 2.551127 -0.096535
N -1.445476 1.099415 0.129950
N -6.203503 0.507503 -0.634210
C 0.616578 -0.277521 0.442369
C 1.105483 -1.717312 0.159120
C -0.895997 -0.176607 0.179153
C 0.164253 -2.772750 0.740386
C 1.365764 0.710548 -0.497422
C -1.213479 -2.682847 0.075296
C -1.731384 -1.273011 0.031701
C 0.845533 0.086249 1.917474
C 2.864826 0.601716 -0.411810
C -3.124789 -1.073983 -0.183112
C -2.849263 1.377674 -0.080593
C -3.673693 0.185751 -0.241623
C 3.573101 1.329688 0.557044
C 3.568452 -0.207231 -1.318100
C 4.965805 1.237525 0.625305
C 4.961131 -0.295152 -1.245606
C 5.662987 0.423982 -0.273152
C -5.068147 0.373095 -0.457613
H 2.127190 -1.845419 0.569011
H 1.203176 -1.871492 -0.933977
H 0.067816 -2.642011 1.836243
H 0.590574 -3.783755 0.593996
H 1.068699 1.755897 -0.270588
H 1.033716 0.539066 -1.543845
H -1.928594 -3.338285 0.614112
H -1.159827 -3.080023 -0.961463
H 1.900112 -0.044711 2.195370
H 0.579045 1.123235 2.143965
H 0.256551 -0.556087 2.584942
H -0.837357 1.918225 0.255127
H -3.767882 -1.953244 -0.303559
H 3.041022 1.972812 1.255123
H 3.033287 -0.764848 -2.084032
H 5.509713 1.804814 1.379591
H 5.501503 -0.924243 -1.951865
H 6.747529 0.354410 -0.218876


%chk=000257808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257808

0 1
O -3.169985 2.633809 -0.001513
N -1.461641 1.053135 0.185145
N -6.263452 0.628891 -0.643897
C 0.601104 -0.327830 0.459370
C 1.068290 -1.789231 0.186560
C -0.911319 -0.219055 0.197274
C 0.100806 -2.851885 0.746134
C 1.370434 0.660382 -0.510896
C -1.262004 -2.745887 0.032856
C -1.769635 -1.312135 0.004986
C 0.875351 0.052204 1.946903
C 2.890695 0.604910 -0.426213
C -3.156871 -1.045792 -0.214153
C -2.829864 1.414461 -0.019323
C -3.695183 0.246471 -0.234405
C 3.598917 1.423457 0.493184
C 3.640554 -0.242033 -1.283983
C 5.009035 1.382305 0.569781
C 5.050804 -0.287231 -1.212006
C 5.741197 0.522231 -0.280679
C -5.093203 0.465394 -0.456321
H 2.080315 -1.918319 0.609774
H 1.159846 -1.943371 -0.907903
H -0.032499 -2.717631 1.836896
H 0.526974 -3.861263 0.597805
H 1.054336 1.701298 -0.298496
H 1.045043 0.433514 -1.544241
H -2.010806 -3.392570 0.528783
H -1.161827 -3.127328 -1.004741
H 1.956715 -0.010582 2.157775
H 0.540416 1.080288 2.179386
H 0.348251 -0.631250 2.634767
H -0.852844 1.866319 0.326207
H -3.833925 -1.894559 -0.369037
H 3.043152 2.109899 1.144064
H 3.117970 -0.861953 -2.022613
H 5.534804 2.026215 1.283592
H 5.609773 -0.945335 -1.886646
H 6.834973 0.492258 -0.226882


