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	hartrees
Energy at 0K	-34.084110
Energy at 298.15K	-34.088285
HF Energy	-34.084110
Nuclear repulsion energy	17.673284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	2777	3.16
2	A₁	2390	2140	280.56
3	A₁	1242	1112	76.01
4	A₁	810	725	89.93
5	E	2408	2157	146.66
5	E	2408	2157	146.65
6	E	1359	1217	2.05
6	E	1359	1217	2.05
7	E	1221	1093	3.23
7	E	1221	1093	3.23
8	E	620	555	2.99
8	E	619	555	2.99

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.380
B2	0.000	0.000	0.491
H3	0.000	0.000	1.651
H4	0.000	1.146	0.011
H5	0.993	-0.573	0.011
H6	-0.993	-0.573	0.011

	Li1	B2	H3	H4	H5	H6
Li1		1.8703	3.0303	1.8023	1.8023	1.8023
B2	1.8703		1.1600	1.2425	1.2425	1.2425
H3	3.0303	1.1600		2.0004	2.0004	2.0004
H4	1.8023	1.2425	2.0004		1.9853	1.9853
H5	1.8023	1.2425	2.0004	1.9853		1.9853
H6	1.8023	1.2425	2.0004	1.9853	1.9853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.301
Li1	B2	H5	67.301	Li1	B2	H6	67.301
Li1	H4	B2	73.206	Li1	H5	B2	73.206
Li1	H6	B2	73.206	H3	B2	H4	112.699
H3	B2	H5	112.699	H3	B2	H6	112.699
H4	B2	H5	106.060	H4	B2	H6	106.060
H5	B2	H6	106.060

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

using model chemistry: LSDA/STO-3G

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	0.174
2	B	-0.213
3	H	-0.015
4	H	0.018
5	H	0.018
6	H	0.018

	x	y	z	Total
	0.000	0.000	-4.423	4.423
CHELPG
AIM
ESP

<r²>	20.221
(<r²>)^1/2	4.497

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

using model chemistry: LSDA/STO-3G

States and conformations

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