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	hartrees
Energy at 0K	-34.599507
Energy at 298.15K	-34.603577
HF Energy	-34.456379
Nuclear repulsion energy	17.225978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2630	2522	140.39
2	A₁	2288	2194	159.28
3	A₁	1249	1198	118.40
4	A₁	671	643	166.26
5	E	2269	2176	348.01
5	E	2269	2176	348.01
6	E	1289	1236	2.36
6	E	1289	1236	2.36
7	E	1125	1079	41.25
7	E	1125	1079	41.25
8	E	479	459	4.88
8	E	479	459	4.88

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.439
B2	0.000	0.000	0.510
H3	0.000	0.000	1.715
H4	0.000	1.154	0.017
H5	0.999	-0.577	0.017
H6	-0.999	-0.577	0.017

	Li1	B2	H3	H4	H5	H6
Li1		1.9493	3.1544	1.8575	1.8575	1.8575
B2	1.9493		1.2051	1.2552	1.2552	1.2552
H3	3.1544	1.2051		2.0537	2.0537	2.0537
H4	1.8575	1.2552	2.0537		1.9988	1.9988
H5	1.8575	1.2552	2.0537	1.9988		1.9988
H6	1.8575	1.2552	2.0537	1.9988	1.9988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.836
Li1	B2	H5	66.836	Li1	B2	H6	66.836
Li1	H4	B2	74.755	Li1	H5	B2	74.755
Li1	H6	B2	74.755	H3	B2	H4	113.164
H3	B2	H5	113.164	H3	B2	H6	113.164
H4	B2	H5	105.540	H4	B2	H6	105.540
H5	B2	H6	105.540

All results from a given calculation for LiBH₄ (Lithium borohydride)

using model chemistry: MP2/aug-cc-pVDZ

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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All results from a given calculation for LiBH4 (Lithium borohydride)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for LiBH₄ (Lithium borohydride)