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	hartrees
Energy at 0K	-34.468829
Energy at 298.15K	-34.472965
HF Energy	-34.468829
Nuclear repulsion energy	17.356692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2658	2404	174.50
2	A	2286	2068	213.09
3	A	2207	1997	465.78
4	A	2207	1997	465.78
5	A	1352	1223	3.78
6	A	1352	1223	3.78
7	A	1338	1210	143.03
8	A	1209	1093	56.68
9	A	1209	1093	56.68
10	A	694	628	173.92
11	A	501	453	4.28
12	A	501	453	4.28

Atom	x (Å)	y (Å)	z (Å)
Li1	1.423	-0.000	0.000
B2	-0.507	0.000	0.000
H3	-1.699	-0.000	-0.000
H4	-0.011	0.564	-1.000
H5	-0.011	0.584	0.988
H6	-0.011	-1.148	0.012

	Li1	B2	H3	H4	H5	H6
Li1		1.9298	3.1220	1.8366	1.8366	1.8366
B2	1.9298		1.1922	1.2507	1.2507	1.2507
H3	3.1220	1.1922		2.0418	2.0418	2.0418
H4	1.8366	1.2507	2.0418		1.9884	1.9884
H5	1.8366	1.2507	2.0418	1.9884		1.9884
H6	1.8366	1.2507	2.0418	1.9884	1.9884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.624
Li1	B2	H5	66.624	Li1	B2	H6	66.624
Li1	H4	B2	74.688	Li1	H5	B2	74.688
Li1	H6	B2	74.688	H3	B2	H4	113.376
H3	B2	H5	113.376	H3	B2	H6	113.376
H4	B2	H5	105.299	H4	B2	H6	105.300
H5	B2	H6	105.300

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

using model chemistry: HF/daug-cc-pVTZ

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	0.472
2	B	-0.451
3	H	-0.834
4	H	0.271
5	H	0.271
6	H	0.271

	x	y	z	Total
	6.117	0.000	0.000	6.117
CHELPG
AIM
ESP

<r²>	21.084
(<r²>)^1/2	4.592

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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