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	hartrees
Energy at 0K	-34.514310
Energy at 298.15K	-34.518335
HF Energy	-34.514310
Nuclear repulsion energy	17.209628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2619	2566	83.80
2	A₁	2244	2199	114.00
3	A₁	1108	1086	54.02
4	A₁	684	670	130.67
5	E	2265	2219	289.56
5	E	2265	2219	289.52
6	E	1234	1209	4.85
6	E	1234	1209	4.85
7	E	1071	1050	3.75
7	E	1071	1050	3.75
8	E	478	469	1.51
8	E	478	469	1.51

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.450
B2	0.000	0.000	0.500
H3	0.000	0.000	1.701
H4	0.000	1.166	0.050
H5	1.009	-0.583	0.050
H6	-1.009	-0.583	0.050

	Li1	B2	H3	H4	H5	H6
Li1		1.9499	3.1511	1.8996	1.8996	1.8996
B2	1.9499		1.2011	1.2494	1.2494	1.2494
H3	3.1511	1.2011		2.0211	2.0211	2.0211
H4	1.8996	1.2494	2.0211		2.0188	2.0188
H5	1.8996	1.2494	2.0211	2.0188		2.0188
H6	1.8996	1.2494	2.0211	2.0188	2.0188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	68.891
Li1	B2	H5	68.891	Li1	B2	H6	68.891
Li1	H4	B2	73.259	Li1	H5	B2	73.259
Li1	H6	B2	73.259	H3	B2	H4	111.109
H3	B2	H5	111.109	H3	B2	H6	111.109
H4	B2	H5	107.785	H4	B2	H6	107.785
H5	B2	H6	107.785

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

using model chemistry: LSDA/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	0.399
2	B	-0.432
3	H	-0.002
4	H	0.012
5	H	0.012
6	H	0.012

	x	y	z	Total
	0.000	0.000	-6.035	6.035
CHELPG
AIM
ESP

<r²>	21.505
(<r²>)^1/2	4.637

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

using model chemistry: LSDA/6-31G

States and conformations

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