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	hartrees
Energy at 0K	-34.431846
Energy at 298.15K	-34.435886
HF Energy	-34.431846
Nuclear repulsion energy	17.092914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2708	2437	196.33
2	A₁	2276	2048	257.52
3	A₁	1273	1145	157.79
4	A₁	672	604	200.15
5	E	2207	1986	676.01
5	E	2207	1986	676.01
6	E	1340	1205	33.77
6	E	1340	1205	33.77
7	E	1195	1076	30.36
7	E	1195	1076	30.36
8	E	458	412	0.12
8	E	458	412	0.12

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.473
B2	0.000	0.000	0.521
H3	0.000	0.000	1.711
H4	0.000	1.159	0.035
H5	1.004	-0.579	0.035
H6	-1.004	-0.579	0.035

	Li1	B2	H3	H4	H5	H6
Li1		1.9939	3.1843	1.9016	1.9016	1.9016
B2	1.9939		1.1904	1.2567	1.2567	1.2567
H3	3.1843	1.1904		2.0381	2.0381	2.0381
H4	1.9016	1.2567	2.0381		2.0072	2.0072
H5	1.9016	1.2567	2.0381	2.0072		2.0072
H6	1.9016	1.2567	2.0381	2.0072	2.0072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.243
Li1	B2	H5	67.243	Li1	B2	H6	67.243
Li1	H4	B2	75.212	Li1	H5	B2	75.212
Li1	H6	B2	75.212	H3	B2	H4	112.757
H3	B2	H5	112.757	H3	B2	H6	112.757
H4	B2	H5	105.995	H4	B2	H6	105.995
H5	B2	H6	105.995

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

using model chemistry: HF/LANL2DZ

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	0.499
2	B	-0.364
3	H	0.052
4	H	-0.063
5	H	-0.063
6	H	-0.063

	x	y	z	Total
	0.000	0.000	-6.630	6.630
CHELPG
AIM
ESP

<r²>	21.753
(<r²>)^1/2	4.664

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

using model chemistry: HF/LANL2DZ

States and conformations

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