%chk=000216493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216493

0 1
O 1.566037 1.402236 0.875498
O 3.875184 0.885080 -0.825346
N -3.647207 -0.594336 -0.317895
N -2.563865 1.605998 -0.508922
N -2.570875 -2.402198 0.712182
N -4.739956 1.216586 -1.377527
C -0.268321 -0.624890 1.498190
C 0.899448 -0.878540 0.580590
C -1.466178 -0.185128 0.714523
C 1.820120 0.152579 0.313035
C 1.084706 -2.123830 -0.035476
C 2.899157 -0.069452 -0.568539
C -2.555773 -1.042336 0.392889
C 2.174434 -2.347774 -0.882335
C 3.085067 -1.325776 -1.158779
C -1.523844 1.127186 0.213443
C -3.612833 0.721877 -0.734795
C 2.593369 1.843384 1.806967
C 3.374171 2.092762 -1.463863
H -0.483397 -1.522849 2.110426
H 0.003373 0.170752 2.233193
H 0.365171 -2.922100 0.140846
H 2.308865 -3.326453 -1.342255
H 3.931710 -1.482274 -1.824471
H -0.689620 1.827899 0.390558
H -2.010078 -2.712827 1.489635
H -3.442976 -2.901320 0.585595
H 3.577608 1.839200 1.323836
H 2.583672 1.198599 2.689074
H 2.266797 2.859930 2.048890
H 2.547863 2.525062 -0.887714
H 3.062070 1.853031 -2.484097
H 4.256531 2.740817 -1.457766
H -5.418588 0.559650 -1.732297
H -4.664845 2.100657 -1.859490


%chk=000216493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216493

0 1
O 1.317042 1.312939 0.603589
O 3.662616 0.696365 -1.011485
N -3.198904 -0.108596 -0.869587
N -3.076140 1.778855 0.686033
N -1.718577 -1.904072 -0.768332
N -4.719754 1.668513 -0.984223
C -0.357148 -0.750724 1.667240
C 0.908947 -1.067242 0.871415
C -1.484847 -0.087195 0.887699
C 1.714893 -0.019308 0.349410
C 1.323656 -2.407399 0.659052
C 2.862524 -0.320675 -0.440331
C -2.127460 -0.690708 -0.246615
C 2.500955 -2.705993 -0.064974
C 3.264008 -1.661122 -0.627282
C -2.015887 1.156523 1.280084
C -3.629681 1.090007 -0.368869
C 2.309071 2.136695 1.337682
C 2.964623 1.543550 -2.009678
H -0.721785 -1.695774 2.119894
H -0.097195 -0.075833 2.505119
H 0.733928 -3.220766 1.102116
H 2.815199 -3.746425 -0.198624
H 4.164637 -1.855279 -1.218117
H -1.565982 1.694059 2.124426
H -0.814701 -2.302987 -0.522736
H -2.218394 -2.247266 -1.586774
H 3.263488 2.196603 0.785493
H 2.486558 1.710693 2.343246
H 1.846861 3.131437 1.426009
H 2.065916 2.015214 -1.573363
H 2.678679 0.933194 -2.886871
H 3.698317 2.307831 -2.307410
H -5.157904 1.196294 -1.769152
H -5.060560 2.559794 -0.636282


