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	hartrees
Energy at 0K	-34.511611
Energy at 298.15K	-34.515637
HF Energy	-34.511611
Nuclear repulsion energy	17.100904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2666	2568	93.38
2	A₁	2262	2179	145.06
3	A₁	1185	1142	97.65
4	A₁	668	644	160.88
5	E	2242	2160	340.15
5	E	2242	2160	340.21
6	E	1293	1246	10.62
6	E	1293	1246	10.61
7	E	1122	1081	12.52
7	E	1122	1081	12.53
8	E	462	445	0.57
8	E	462	445	0.57

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.473
B2	0.000	0.000	0.516
H3	0.000	0.000	1.713
H4	0.000	1.160	0.042
H5	1.005	-0.580	0.042
H6	-1.005	-0.580	0.042

	Li1	B2	H3	H4	H5	H6
Li1		1.9888	3.1860	1.9077	1.9077	1.9077
B2	1.9888		1.1972	1.2531	1.2531	1.2531
H3	3.1860	1.1972		2.0345	2.0345	2.0345
H4	1.9077	1.2531	2.0345		2.0090	2.0090
H5	1.9077	1.2531	2.0345	2.0090		2.0090
H6	1.9077	1.2531	2.0345	2.0090	2.0090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.762
Li1	B2	H5	67.762	Li1	B2	H6	67.762
Li1	H4	B2	74.792	Li1	H5	B2	74.792
Li1	H6	B2	74.792	H3	B2	H4	112.238
H3	B2	H5	112.238	H3	B2	H6	112.238
H4	B2	H5	106.568	H4	B2	H6	106.568
H5	B2	H6	106.568

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

using model chemistry: HSEh1PBE/3-21G

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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