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	hartrees
Energy at 0K	-34.573914
Energy at 298.15K	-34.577859
HF Energy	-34.573914
Nuclear repulsion energy	16.954648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2653	2515	106.78
2	A₁	2288	2169	138.89
3	A₁	1195	1133	96.53
4	A₁	619	586	176.08
5	E	2273	2154	362.16
5	E	2273	2154	363.11
6	E	1301	1233	13.03
6	E	1301	1233	13.02
7	E	1138	1079	13.54
7	E	1138	1079	13.50
8	E	430	408	1.05
8	E	430	408	1.03

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.455
B2	0.000	0.000	0.514
H3	0.000	0.000	1.710
H4	0.000	1.157	0.028
H5	1.002	-0.578	0.028
H6	-1.002	-0.578	0.028

	Li1	B2	H3	H4	H5	H6
Li1		1.9689	3.1646	1.8811	1.8811	1.8811
B2	1.9689		1.1957	1.2547	1.2547	1.2547
H3	3.1646	1.1957		2.0409	2.0409	2.0409
H4	1.8811	1.2547	2.0409		2.0038	2.0038
H5	1.8811	1.2547	2.0409	2.0038		2.0038
H6	1.8811	1.2547	2.0409	2.0038	2.0038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.229
Li1	B2	H5	67.229	Li1	B2	H6	67.229
Li1	H4	B2	74.819	Li1	H5	B2	74.819
Li1	H6	B2	74.819	H3	B2	H4	112.771
H3	B2	H5	112.771	H3	B2	H6	112.771
H4	B2	H5	105.979	H4	B2	H6	105.979
H5	B2	H6	105.979

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

using model chemistry: wB97X-D/3-21G*

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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Number	Element	Mulliken
1	Li	0.574
2	B	-0.506
3	H	0.009
4	H	-0.025
5	H	-0.025
6	H	-0.025

	x	y	z	Total
	0.000	0.000	-6.720	6.720
CHELPG
AIM
ESP

<r²>	22.048
(<r²>)^1/2	4.695

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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