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	hartrees
Energy at 0K	-34.774826
Energy at 298.15K	-34.778817
HF Energy	-34.774826
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2572	2522	122.64
2	A₁	2198	2155	157.56
3	A₁	1192	1169	95.03
4	A₁	659	646	142.65
5	E	2157	2115	394.35
5	E	2157	2115	394.38
6	E	1247	1223	2.61
6	E	1247	1223	2.62
7	E	1095	1074	30.21
7	E	1095	1074	30.20
8	E	460	451	1.28
8	E	460	451	1.28

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.465
B2	0.000	0.000	0.516
H3	0.000	0.000	1.722
H4	0.000	1.161	0.031
H5	1.006	-0.581	0.031
H6	-1.006	-0.581	0.031

	Li1	B2	H3	H4	H5	H6
Li1		1.9807	3.1862	1.8933	1.8933	1.8933
B2	1.9807		1.2055	1.2586	1.2586	1.2586
H3	3.1862	1.2055		2.0513	2.0513	2.0513
H4	1.8933	1.2586	2.0513		2.0113	2.0113
H5	1.8933	1.2586	2.0513	2.0113		2.0113
H6	1.8933	1.2586	2.0513	2.0113	2.0113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.970
Li1	B2	H5	66.970	Li1	B2	H6	66.970
Li1	H4	B2	74.649	Li1	H5	B2	74.649
Li1	H6	B2	74.649	H3	B2	H4	113.030
H3	B2	H5	113.030	H3	B2	H6	113.030
H4	B2	H5	105.690	H4	B2	H6	105.690
H5	B2	H6	105.690

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

using model chemistry: B97D3/6-31G*

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	0.254
2	B	-0.222
3	H	-0.037
4	H	0.002
5	H	0.002
6	H	0.002

	x	y	z	Total
	0.000	0.000	-6.018	6.018
CHELPG
AIM
ESP

	x	y	z
x	3.794	0.000	0.000
y	0.000	3.795	0.001
z	0.000	0.001	4.955

<r²>	21.583
(<r²>)^1/2	4.646

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

using model chemistry: B97D3/6-31G*

States and conformations

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