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	hartrees
Energy at 0K	-34.471014
Energy at 298.15K	-34.475161
HF Energy	-34.471014
Nuclear repulsion energy	17.370305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2657	2414	173.70
2	A₁	2285	2076	213.25
3	A₁	1340	1218	143.23
4	A₁	695	632	173.74
5	E	2206	2004	465.35
5	E	2206	2004	465.35
6	E	1353	1229	3.73
6	E	1353	1229	3.73
7	E	1209	1099	56.98
7	E	1209	1099	56.98
8	E	503	457	4.29
8	E	503	457	4.29

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.421
B2	0.000	0.000	0.507
H3	0.000	0.000	1.698
H4	0.000	1.147	0.010
H5	0.994	-0.574	0.010
H6	-0.994	-0.574	0.010

	Li1	B2	H3	H4	H5	H6
Li1		1.9274	3.1190	1.8344	1.8344	1.8344
B2	1.9274		1.1916	1.2501	1.2501	1.2501
H3	3.1190	1.1916		2.0409	2.0409	2.0409
H4	1.8344	1.2501	2.0409		1.9874	1.9874
H5	1.8344	1.2501	2.0409	1.9874		1.9874
H6	1.8344	1.2501	2.0409	1.9874	1.9874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.615
Li1	B2	H5	66.615	Li1	B2	H6	66.615
Li1	H4	B2	74.666	Li1	H5	B2	74.666
Li1	H6	B2	74.666	H3	B2	H4	113.385
H3	B2	H5	113.385	H3	B2	H6	113.385
H4	B2	H5	105.290	H4	B2	H6	105.290
H5	B2	H6	105.290

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

using model chemistry: HF/cc-pVQZ

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	0.362
2	B	0.143
3	H	-0.103
4	H	-0.134
5	H	-0.134
6	H	-0.134

	x	y	z	Total
	0.000	0.000	-6.105	6.105
CHELPG
AIM
ESP

<r²>	21.053
(<r²>)^1/2	4.588

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

using model chemistry: HF/cc-pVQZ

States and conformations

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