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	hartrees
Energy at 0K	-34.809557
Energy at 298.15K	-34.813666
HF Energy	-34.809557
Nuclear repulsion energy	17.442629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2601	2514	123.09
2	A₁	2245	2170	155.00
3	A₁	1235	1194	109.48
4	A₁	702	678	159.11
5	E	2206	2132	344.93
5	E	2206	2132	344.90
6	E	1276	1234	2.61
6	E	1276	1234	2.61
7	E	1115	1078	29.38
7	E	1115	1078	29.38
8	E	500	484	4.08
8	E	500	484	4.09

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.412
B2	0.000	0.000	0.502
H3	0.000	0.000	1.694
H4	0.000	1.144	0.010
H5	0.991	-0.572	0.010
H6	-0.991	-0.572	0.010

	Li1	B2	H3	H4	H5	H6
Li1		1.9143	3.1063	1.8249	1.8249	1.8249
B2	1.9143		1.1920	1.2452	1.2452	1.2452
H3	3.1063	1.1920		2.0359	2.0359	2.0359
H4	1.8249	1.2452	2.0359		1.9811	1.9811
H5	1.8249	1.2452	2.0359	1.9811		1.9811
H6	1.8249	1.2452	2.0359	1.9811	1.9811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.715
Li1	B2	H5	66.715	Li1	B2	H6	66.715
Li1	H4	B2	74.474	Li1	H5	B2	74.474
Li1	H6	B2	74.474	H3	B2	H4	113.285
H3	B2	H5	113.285	H3	B2	H6	113.285
H4	B2	H5	105.402	H4	B2	H6	105.402
H5	B2	H6	105.402

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

using model chemistry: B3LYP/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	0.476
2	B	-0.260
3	H	-0.058
4	H	-0.053
5	H	-0.053
6	H	-0.053

	x	y	z	Total
	0.000	0.000	-5.929	5.929
CHELPG
AIM
ESP

<r²>	20.973
(<r²>)^1/2	4.580

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

using model chemistry: B3LYP/6-311G**

States and conformations

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