n QAl NEC(Al) NEC(Be)
1 -0.167 [core]3s1.963p1.183d0.03 [core]2s1.612p0.22
2 -0.621 [core]3s1.903p1.663d0.05 [core]2s1.372p0.31
3 -0.821 [core]3s1.893p1.874s0.013d0.05 [core]2s1.332p0.373s0.023p0.013d0.01
4 -0.658 [core]3s1.833p1.773d0.05 [core]2s1.30-1.432p0.37-0.533p0.013d0.01
5 -1.044 [core]3s1.793p2.183d0.07 [core]2s1.18-1.452p0.37-0.563s0.013p0.013d0.01-0.07
6 -1.435 [core]3s1.763p2.563d0.10 [core]2s1.15-1.232p0.34-0.703p0.013d0.01-0.10
7 -1.306 [core]3s1.793p2.404s0.013d0.10 [core]2s1.20-1.252p0.49-0.683p0.013d0.02-0.10
8 -1.679 [core]3s1.763p2.784s0.013d0.12 [core]2s1.18-1.312p0.42-0.683p0.013d0.02-0.04
9 -2.285 [core]3s1.783p3.304s0.053d0.15 [core]2s1.13-1.272p0.43-0.593p0.01-0.033d0.01-0.05
10 -2.403 [core]3s1.733p3.484s0.043d0.15 [core]2s1.07-1.282p0.50-0.643p0.01-0.033d0.02-0.05
11 -2.336 [core]3s1.713p3.414s0.033d0.17 [core]2s1.10-1.342p0.34-0.713p0.01-0.033d0.02-0.06
12 -2.331 [core]3s1.693p3.424s0.033d0.18 [core]2s1.07-1.372p0.31-0.763p0.01-0.033d0.02-0.05