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	hartrees
Energy at 0K	-34.758586
Energy at 298.15K	-34.762652
HF Energy	-34.758586
Nuclear repulsion energy	17.362173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2552	2542	114.14
2	A₁	2202	2193	147.61
3	A₁	1201	1196	104.20
4	A₁	689	687	152.04
5	E	2160	2152	332.46
5	E	2160	2152	332.44
6	E	1245	1240	1.93
6	E	1245	1240	1.93
7	E	1087	1083	27.70
7	E	1087	1083	27.70
8	E	486	484	3.68
8	E	486	484	3.68

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.419
B2	0.000	0.000	0.505
H3	0.000	0.000	1.702
H4	0.000	1.149	0.011
H5	0.995	-0.574	0.011
H6	-0.995	-0.574	0.011

	Li1	B2	H3	H4	H5	H6
Li1		1.9244	3.1214	1.8343	1.8343	1.8343
B2	1.9244		1.1970	1.2505	1.2505	1.2505
H3	3.1214	1.1970		2.0445	2.0445	2.0445
H4	1.8343	1.2505	2.0445		1.9896	1.9896
H5	1.8343	1.2505	2.0445	1.9896		1.9896
H6	1.8343	1.2505	2.0445	1.9896	1.9896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.718
Li1	B2	H5	66.718	Li1	B2	H6	66.718
Li1	H4	B2	74.511	Li1	H5	B2	74.511
Li1	H6	B2	74.511	H3	B2	H4	113.282
H3	B2	H5	113.282	H3	B2	H6	113.282
H4	B2	H5	105.406	H4	B2	H6	105.406
H5	B2	H6	105.406

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

using model chemistry: BLYP/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	0.450
2	B	-0.229
3	H	-0.068
4	H	-0.051
5	H	-0.051
6	H	-0.051

	x	y	z	Total
	0.000	0.000	-5.889	5.889
CHELPG
AIM
ESP

<r²>	21.198
(<r²>)^1/2	4.604

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

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

States and conformations

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