System Calculated geometriesb,c,d AIM Critical point properties ELF Basins Digital Repositorye X=Be, R=H charge=0, n=2 Be-He: 1.4934Åb, 1.4745Åc,1.5050Åd f ρ(r)Be-He 0.035; ∇2ρ(r) +0.376 g 10042/to-2494 10042/to-2492 10042/to-2524 10042/to-2498 X=Be, R=CN charge=0, n=2 Be-He: 1.4855Åb,1.4663Åc - - 10042/to-2459 10042/to-2467 X=Be, R=DIP charge=0, n=2 Be-He: 1.5671Åb 2.2299Å,b,j ν 101 cm-1 10042/to-2893 10042/to-2899 X=B, R=H charge=1, n=2 B-He: 1.2934Å,b1.2785Åc 1.6699Å, c,j 1.2875Åd f ρ(r)B-He 0.082; ∇2ρ(r) +0.787 g 10042/to-2473 10042/to-2478 10042/to-2525 10042/to-2563 10042/to-2497 X=B, R=CN charge=1, n=2 B-He: 1.2858Åb,1.2704Åc ρ(r)B-He 0.082; ∇2ρ(r) +0.745 g 10042/to-2493 10042/to-2470 10042/to-2454 X=B, R=DIP charge=1, n=2 B-He: 1.3696Åb 1.688Å,c,j ν 268 cm-1 10042/to-2584 10042/to-2610 X=C, R=H charge=2, n=2 C-He: 1.2086Åb, 1.1808Å,c,h 1.1905Åd f ρ(r)C-He 0.161; ∇2ρ(r) +0.811 g 10042/to-2475 10042/to-2474 10042/to-2526 10042/to-2496

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