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	hartrees
Energy at 0K	-34.758219
Energy at 298.15K	-34.762232
HF Energy	-34.758219
Nuclear repulsion energy	17.298562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2556	2550	109.88
2	A₁	2211	2206	140.90
3	A₁	1189	1186	118.48
4	A₁	678	676	177.46
5	E	2171	2166	332.95
5	E	2171	2166	332.92
6	E	1240	1237	2.48
6	E	1240	1237	2.48
7	E	1087	1084	29.88
7	E	1087	1084	29.88
8	E	458	457	2.83
8	E	458	457	2.84

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.432
B2	0.000	0.000	0.508
H3	0.000	0.000	1.706
H4	0.000	1.151	0.017
H5	0.996	-0.575	0.017
H6	-0.996	-0.575	0.017

	Li1	B2	H3	H4	H5	H6
Li1		1.9402	3.1384	1.8508	1.8508	1.8508
B2	1.9402		1.1982	1.2507	1.2507	1.2507
H3	3.1384	1.1982		2.0433	2.0433	2.0433
H4	1.8508	1.2507	2.0433		1.9928	1.9928
H5	1.8508	1.2507	2.0433	1.9928		1.9928
H6	1.8508	1.2507	2.0433	1.9928	1.9928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.915
Li1	B2	H5	66.915	Li1	B2	H6	66.915
Li1	H4	B2	74.650	Li1	H5	B2	74.650
Li1	H6	B2	74.650	H3	B2	H4	113.085
H3	B2	H5	113.085	H3	B2	H6	113.085
H4	B2	H5	105.628	H4	B2	H6	105.628
H5	B2	H6	105.628

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

using model chemistry: BLYP/TZVP

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	0.366
2	B	-0.038
3	H	-0.034
4	H	-0.098
5	H	-0.098
6	H	-0.098

	x	y	z	Total
	0.000	0.000	-5.940	5.940
CHELPG
AIM
ESP

<r²>	21.397
(<r²>)^1/2	4.626

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

using model chemistry: BLYP/TZVP

States and conformations

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