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	hartrees
Energy at 0K	-34.779978
Energy at 298.15K	-34.784077
HF Energy	-34.779978
Nuclear repulsion energy	17.387910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2589	2492	129.17
2	A₁	2235	2151	147.26
3	A₁	1222	1177	104.65
4	A₁	697	671	163.63
5	E	2218	2136	334.62
5	E	2218	2135	334.56
6	E	1274	1226	3.48
6	E	1274	1226	3.48
7	E	1104	1063	25.57
7	E	1104	1063	25.57
8	E	502	484	4.54
8	E	502	484	4.54

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.416
B2	0.000	0.000	0.502
H3	0.000	0.000	1.699
H4	0.000	1.149	0.013
H5	0.995	-0.574	0.013
H6	-0.995	-0.574	0.013

	Li1	B2	H3	H4	H5	H6
Li1		1.9183	3.1156	1.8333	1.8333	1.8333
B2	1.9183		1.1972	1.2487	1.2487	1.2487
H3	3.1156	1.1972		2.0407	2.0407	2.0407
H4	1.8333	1.2487	2.0407		1.9896	1.9896
H5	1.8333	1.2487	2.0407	1.9896		1.9896
H6	1.8333	1.2487	2.0407	1.9896	1.9896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.919
Li1	B2	H5	66.919	Li1	B2	H6	66.919
Li1	H4	B2	74.284	Li1	H5	B2	74.284
Li1	H6	B2	74.284	H3	B2	H4	113.081
H3	B2	H5	113.081	H3	B2	H6	113.081
H4	B2	H5	105.632	H4	B2	H6	105.632
H5	B2	H6	105.632

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

using model chemistry: B3PW91/6-311G*

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	0.478
2	B	-0.653
3	H	0.048
4	H	0.042
5	H	0.042
6	H	0.042

	x	y	z	Total
	0.000	0.000	-6.016	6.016
CHELPG
AIM
ESP

<r²>	20.972
(<r²>)^1/2	4.580

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

using model chemistry: B3PW91/6-311G*

States and conformations

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