1# b3lyp/6-311g(d) pop=nboread
2
3b3lyp/6-311+G* opted
4
51 1
6 Li 0.00000000 1.55361400 0.00000000
7 Li -1.34546900 -0.77680700 0.00000000
8 Li 1.34546900 -0.77680700 0.00000000
9 Li 0.00000000 0.00000000 2.73799900
10 Li 0.00000000 0.00000000 -2.73799900
11
12$NBO archive file=C:\Li5+ $END
13
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