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	hartrees
Energy at 0K	-34.526748
Energy at 298.15K	-34.530824
HF Energy	-34.526748
Nuclear repulsion energy	17.316660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2603	2555	85.06
2	A₁	2256	2214	127.38
3	A₁	1158	1136	62.07
4	A₁	704	691	133.76
5	E	2270	2228	268.30
5	E	2270	2228	268.26
6	E	1238	1215	0.92
6	E	1238	1215	0.92
7	E	1053	1034	9.56
7	E	1053	1034	9.56
8	E	510	501	2.04
8	E	510	501	2.04

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.428
B2	0.000	0.000	0.499
H3	0.000	0.000	1.703
H4	0.000	1.156	0.028
H5	1.001	-0.578	0.028
H6	-1.001	-0.578	0.028

	Li1	B2	H3	H4	H5	H6
Li1		1.9269	3.1312	1.8591	1.8591	1.8591
B2	1.9269		1.2043	1.2483	1.2483	1.2483
H3	3.1312	1.2043		2.0354	2.0354	2.0354
H4	1.8591	1.2483	2.0354		2.0024	2.0024
H5	1.8591	1.2483	2.0354	2.0024		2.0024
H6	1.8591	1.2483	2.0354	2.0024	2.0024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.837
Li1	B2	H5	67.837	Li1	B2	H6	67.837
Li1	H4	B2	73.713	Li1	H5	B2	73.713
Li1	H6	B2	73.713	H3	B2	H4	112.163
H3	B2	H5	112.163	H3	B2	H6	112.163
H4	B2	H5	106.650	H4	B2	H6	106.650
H5	B2	H6	106.650

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	0.178
2	B	-0.396
3	H	0.006
4	H	0.070
5	H	0.070
6	H	0.070

	x	y	z	Total
	0.000	0.000	-5.724	5.724
CHELPG
AIM
ESP

<r²>	21.152
(<r²>)^1/2	4.599

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)