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	hartrees
Energy at 0K	-34.707966
Energy at 298.15K	-34.712040
HF Energy	-34.707966
Nuclear repulsion energy	17.337262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2558	2535	106.22
2	A₁	2208	2188	134.75
3	A₁	1176	1166	88.26
4	A₁	695	688	150.45
5	E	2197	2177	300.78
5	E	2196	2177	300.75
6	E	1234	1223	1.38
6	E	1234	1223	1.37
7	E	1061	1051	20.30
7	E	1061	1051	20.29
8	E	497	493	4.06
8	E	497	493	4.07

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.419
B2	0.000	0.000	0.503
H3	0.000	0.000	1.704
H4	0.000	1.153	0.013
H5	0.999	-0.577	0.013
H6	-0.999	-0.577	0.013

	Li1	B2	H3	H4	H5	H6
Li1		1.9218	3.1232	1.8385	1.8385	1.8385
B2	1.9218		1.2015	1.2529	1.2529	1.2529
H3	3.1232	1.2015		2.0471	2.0471	2.0471
H4	1.8385	1.2529	2.0471		1.9973	1.9973
H5	1.8385	1.2529	2.0471	1.9973		1.9973
H6	1.8385	1.2529	2.0471	1.9973	1.9973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.982
Li1	B2	H5	66.982	Li1	B2	H6	66.982
Li1	H4	B2	74.172	Li1	H5	B2	74.172
Li1	H6	B2	74.172	H3	B2	H4	113.018
H3	B2	H5	113.018	H3	B2	H6	113.018
H4	B2	H5	105.703	H4	B2	H6	105.703
H5	B2	H6	105.703

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

using model chemistry: PBEPBE/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	0.436
2	B	-0.386
3	H	-0.029
4	H	-0.007
5	H	-0.007
6	H	-0.007

	x	y	z	Total
	0.000	0.000	-5.880	5.880
CHELPG
AIM
ESP

<r²>	21.148
(<r²>)^1/2	4.599

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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