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	hartrees
Energy at 0K	-34.732758
Energy at 298.15K	-34.736784
HF Energy	-34.732758
Nuclear repulsion energy	17.190114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2659	2536	122.16
2	A₁	2277	2172	145.68
3	A₁	1183	1128	94.82
4	A₁	669	638	146.26
5	E	2257	2153	383.04
5	E	2257	2153	383.17
6	E	1284	1224	11.66
6	E	1284	1224	11.66
7	E	1132	1080	14.98
7	E	1132	1080	14.99
8	E	464	442	1.01
8	E	464	442	1.01

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.465
B2	0.000	0.000	0.511
H3	0.000	0.000	1.703
H4	0.000	1.156	0.046
H5	1.001	-0.578	0.046
H6	-1.001	-0.578	0.046

	Li1	B2	H3	H4	H5	H6
Li1		1.9753	3.1681	1.9019	1.9019	1.9019
B2	1.9753		1.1927	1.2461	1.2461	1.2461
H3	3.1681	1.1927		2.0211	2.0211	2.0211
H4	1.9019	1.2461	2.0211		2.0024	2.0024
H5	1.9019	1.2461	2.0211	2.0024		2.0024
H6	1.9019	1.2461	2.0211	2.0024	2.0024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	68.086
Li1	B2	H5	68.086	Li1	B2	H6	68.086
Li1	H4	B2	74.480	Li1	H5	B2	74.480
Li1	H6	B2	74.480	H3	B2	H4	111.914
H3	B2	H5	111.914	H3	B2	H6	111.914
H4	B2	H5	106.922	H4	B2	H6	106.922
H5	B2	H6	106.922

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

using model chemistry: B1B95/6-31G

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	0.471
2	B	-0.298
3	H	-0.036
4	H	-0.046
5	H	-0.046
6	H	-0.046

	x	y	z	Total
	0.000	0.000	-6.347	6.347
CHELPG
AIM
ESP

<r²>	21.503
(<r²>)^1/2	4.637

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

using model chemistry: B1B95/6-31G

States and conformations

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