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	hartrees
Energy at 0K	-34.302493
Energy at 298.15K	-34.306681
HF Energy	-34.302493
Nuclear repulsion energy	17.658769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2770	13.73
2	A₁	2428	2144	316.08
3	A₁	1318	1164	118.38
4	A₁	800	706	110.72
5	E	2417	2134	209.68
5	E	2417	2134	209.79
6	E	1414	1248	0.15
6	E	1414	1248	0.15
7	E	1284	1134	16.24
7	E	1284	1134	16.24
8	E	609	538	3.78
8	E	609	538	3.79

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.389
B2	0.000	0.000	0.497
H3	0.000	0.000	1.655
H4	0.000	1.140	0.009
H5	0.987	-0.570	0.009
H6	-0.987	-0.570	0.009

	Li1	B2	H3	H4	H5	H6
Li1		1.8856	3.0433	1.8037	1.8037	1.8037
B2	1.8856		1.1577	1.2395	1.2395	1.2395
H3	3.0433	1.1577		2.0013	2.0013	2.0013
H4	1.8037	1.2395	2.0013		1.9738	1.9738
H5	1.8037	1.2395	2.0013	1.9738		1.9738
H6	1.8037	1.2395	2.0013	1.9738	1.9738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.842
Li1	B2	H5	66.842	Li1	B2	H6	66.842
Li1	H4	B2	73.976	Li1	H5	B2	73.976
Li1	H6	B2	73.976	H3	B2	H4	113.158
H3	B2	H5	113.158	H3	B2	H6	113.158
H4	B2	H5	105.546	H4	B2	H6	105.546
H5	B2	H6	105.546

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

using model chemistry: B1B95/STO-3G

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	0.266
2	B	-0.124
3	H	-0.047
4	H	-0.032
5	H	-0.032
6	H	-0.032

	x	y	z	Total
	0.000	0.000	-4.847	4.847
CHELPG
AIM
ESP

	x	y	z
x	1.644	0.000	0.000
y	0.000	1.645	-0.000
z	0.000	-0.000	3.431

<r²>	20.214
(<r²>)^1/2	4.496

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

using model chemistry: B1B95/STO-3G

States and conformations

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