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	hartrees
Energy at 0K	-5.198284
Energy at 298.15K	-5.202329
HF Energy	-5.198284
Nuclear repulsion energy	8.472629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2677	2413	275.54
2	A₁	2272	2048	267.27
3	A₁	1281	1155	201.58
4	A₁	672	606	175.00
5	E	2216	1998	814.09
5	E	2216	1998	814.09
6	E	1335	1203	40.84
6	E	1335	1203	40.84
7	E	1194	1076	52.01
7	E	1194	1076	52.01
8	E	459	413	0.34
8	E	459	413	0.34

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.457
B2	0.000	0.000	0.516
H3	0.000	0.000	1.716
H4	0.000	1.163	0.025
H5	1.007	-0.581	0.025
H6	-1.007	-0.581	0.025

	Li1	B2	H3	H4	H5	H6
Li1		1.9735	3.1732	1.8841	1.8841	1.8841
B2	1.9735		1.1996	1.2621	1.2621	1.2621
H3	3.1732	1.1996		2.0519	2.0519	2.0519
H4	1.8841	1.2621	2.0519		2.0139	2.0139
H5	1.8841	1.2621	2.0519	2.0139		2.0139
H6	1.8841	1.2621	2.0519	2.0139	2.0139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.106
Li1	B2	H5	67.106	Li1	B2	H6	67.106
Li1	H4	B2	74.787	Li1	H5	B2	74.787
Li1	H6	B2	74.787	H3	B2	H4	112.894
H3	B2	H5	112.894	H3	B2	H6	112.894
H4	B2	H5	105.843	H4	B2	H6	105.843
H5	B2	H6	105.843

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

using model chemistry: HF/CEP-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	0.223
2	B	0.056
3	H	0.044
4	H	-0.108
5	H	-0.108
6	H	-0.108

	x	y	z	Total
	0.000	0.000	-6.385	6.385
CHELPG
AIM
ESP

<r²>	16.600
(<r²>)^1/2	4.074

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

using model chemistry: HF/CEP-31G

States and conformations

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