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	hartrees
Energy at 0K	-34.779811
Energy at 298.15K	-34.783827
HF Energy	-34.779811
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2612	2477	134.90
2	A₁	2287	2170	150.43
3	A₁	1232	1168	88.10
4	A₁	648	614	163.84
5	E	2272	2155	378.37
5	E	2272	2155	379.96
6	E	1291	1225	3.23
6	E	1291	1225	3.27
7	E	1132	1074	27.54
7	E	1132	1074	27.64
8	E	466	442	2.57
8	E	466	442	2.59

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.444
B2	0.000	0.000	0.509
H3	0.000	0.000	1.708
H4	0.000	1.156	0.026
H5	1.001	-0.578	0.026
H6	-1.001	-0.578	0.026

	Li1	B2	H3	H4	H5	H6
Li1		1.9525	3.1517	1.8699	1.8699	1.8699
B2	1.9525		1.1992	1.2525	1.2525	1.2525
H3	3.1517	1.1992		2.0407	2.0407	2.0407
H4	1.8699	1.2525	2.0407		2.0019	2.0019
H5	1.8699	1.2525	2.0407	2.0019		2.0019
H6	1.8699	1.2525	2.0407	2.0019	2.0019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.334
Li1	B2	H5	67.334	Li1	B2	H6	67.334
Li1	H4	B2	74.486	Li1	H5	B2	74.486
Li1	H6	B2	74.486	H3	B2	H4	112.666
H3	B2	H5	112.666	H3	B2	H6	112.666
H4	B2	H5	106.096	H4	B2	H6	106.096
H5	B2	H6	106.096

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

using model chemistry: wB97X-D/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	0.290
2	B	-0.236
3	H	-0.030
4	H	-0.008
5	H	-0.008
6	H	-0.008

	x	y	z	Total
	0.000	0.000	-6.314	6.314
CHELPG
AIM
ESP

	x	y	z
x	3.595	0.000	0.000
y	0.000	3.592	0.002
z	0.000	0.002	4.536

<r²>	21.483
(<r²>)^1/2	4.635

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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