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	hartrees
Energy at 0K	-5.216354
Energy at 298.15K	-5.220491
HF Energy	-5.216354
Nuclear repulsion energy	8.502380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2676	2403	262.84
2	A₁	2294	2060	269.08
3	A₁	1330	1195	190.26
4	A₁	672	604	163.86
5	E	2216	1990	662.31
5	E	2216	1990	662.31
6	E	1348	1211	13.90
6	E	1348	1211	13.90
7	E	1200	1077	68.32
7	E	1200	1077	68.32
8	E	517	465	0.05
8	E	517	465	0.05

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.437
B2	0.000	0.000	0.511
H3	0.000	0.000	1.713
H4	0.000	1.158	0.015
H5	1.003	-0.579	0.015
H6	-1.003	-0.579	0.015

	Li1	B2	H3	H4	H5	H6
Li1		1.9483	3.1501	1.8571	1.8571	1.8571
B2	1.9483		1.2019	1.2599	1.2599	1.2599
H3	3.1501	1.2019		2.0555	2.0555	2.0555
H4	1.8571	1.2599	2.0555		2.0058	2.0058
H5	1.8571	1.2599	2.0555	2.0058		2.0058
H6	1.8571	1.2599	2.0555	2.0058	2.0058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.796
Li1	B2	H5	66.796	Li1	B2	H6	66.796
Li1	H4	B2	74.627	Li1	H5	B2	74.627
Li1	H6	B2	74.627	H3	B2	H4	113.204
H3	B2	H5	113.204	H3	B2	H6	113.204
H4	B2	H5	105.494	H4	B2	H6	105.494
H5	B2	H6	105.494

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	0.084
2	B	0.010
3	H	0.048
4	H	-0.047
5	H	-0.047
6	H	-0.047

	x	y	z	Total
	0.000	0.000	-6.049	6.049
CHELPG
AIM
ESP

<r²>	16.360
(<r²>)^1/2	4.045

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)