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	hartrees
Energy at 0K	-34.785224
Energy at 298.15K	-34.789232
HF Energy	-34.785224
Nuclear repulsion energy	17.129599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2590	2466	154.50
2	A₁	2282	2173	145.11
3	A₁	1226	1168	92.48
4	A₁	639	609	179.74
5	E	2271	2163	363.13
5	E	2271	2162	364.60
6	E	1283	1221	3.21
6	E	1283	1221	3.18
7	E	1121	1068	24.42
7	E	1121	1068	24.48
8	E	460	438	4.10
8	E	460	438	4.11

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.443
B2	0.000	0.000	0.509
H3	0.000	0.000	1.707
H4	0.000	1.155	0.026
H5	1.000	-0.577	0.026
H6	-1.000	-0.577	0.026

	Li1	B2	H3	H4	H5	H6
Li1		1.9516	3.1503	1.8684	1.8684	1.8684
B2	1.9516		1.1987	1.2515	1.2515	1.2515
H3	3.1503	1.1987		2.0397	2.0397	2.0397
H4	1.8684	1.2515	2.0397		2.0000	2.0000
H5	1.8684	1.2515	2.0397	2.0000		2.0000
H6	1.8684	1.2515	2.0397	2.0000	2.0000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.314
Li1	B2	H5	67.314	Li1	B2	H6	67.314
Li1	H4	B2	74.515	Li1	H5	B2	74.515
Li1	H6	B2	74.515	H3	B2	H4	112.686
H3	B2	H5	112.686	H3	B2	H6	112.686
H4	B2	H5	106.074	H4	B2	H6	106.074
H5	B2	H6	106.074

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

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

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	0.605
2	B	-0.455
3	H	-0.032
4	H	-0.039
5	H	-0.039
6	H	-0.039

	x	y	z	Total
	0.000	0.000	-6.464	6.464
CHELPG
AIM
ESP

	x	y	z
x	3.791	0.000	0.000
y	0.000	3.788	0.002
z	0.000	0.002	4.802

<r²>	21.617
(<r²>)^1/2	4.649

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

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

States and conformations

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