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	hartrees
Energy at 0K	-32.138859
Energy at 298.15K	-32.137548
HF Energy	-32.120388
Nuclear repulsion energy	3.690573

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.344
B2	0.000	0.000	0.807

	Li1	B2
Li1		2.1508
B2	2.1508

All results from a given calculation for LiB (Lithium boride)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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