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	hartrees
Energy at 0K	-34.429670
Energy at 298.15K	-34.433688
HF Energy	-34.429670
Nuclear repulsion energy	17.096174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2709	2446	176.32
2	A₁	2300	2077	214.25
3	A₁	1289	1163	157.58
4	A₁	656	593	164.93
5	E	2211	1997	538.84
5	E	2211	1997	538.84
6	E	1356	1224	30.13
6	E	1356	1224	30.13
7	E	1227	1108	46.81
7	E	1227	1108	46.81
8	E	442	399	0.52
8	E	442	399	0.52

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.484
B2	0.000	0.000	0.522
H3	0.000	0.000	1.711
H4	0.000	1.154	0.044
H5	1.000	-0.577	0.044
H6	-1.000	-0.577	0.044

	Li1	B2	H3	H4	H5	H6
Li1		2.0057	3.1950	1.9150	1.9150	1.9150
B2	2.0057		1.1894	1.2494	1.2494	1.2494
H3	3.1950	1.1894		2.0278	2.0278	2.0278
H4	1.9150	1.2494	2.0278		1.9995	1.9995
H5	1.9150	1.2494	2.0278	1.9995		1.9995
H6	1.9150	1.2494	2.0278	1.9995	1.9995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.516
Li1	B2	H5	67.516	Li1	B2	H6	67.516
Li1	H4	B2	75.409	Li1	H5	B2	75.410
Li1	H6	B2	75.410	H3	B2	H4	112.484
H3	B2	H5	112.484	H3	B2	H6	112.484
H4	B2	H5	106.297	H4	B2	H6	106.297
H5	B2	H6	106.297

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

using model chemistry: HF/6-31G

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	0.581
2	B	-0.067
3	H	-0.094
4	H	-0.140
5	H	-0.140
6	H	-0.140

	x	y	z	Total
	0.000	0.000	-6.729	6.729
CHELPG
AIM
ESP

<r²>	21.859
(<r²>)^1/2	4.675

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

using model chemistry: HF/6-31G

States and conformations

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