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	hartrees
Energy at 0K	-34.327248
Energy at 298.15K	-34.331268
HF Energy	-34.243765
Nuclear repulsion energy	17.068159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2683	2562	109.98
2	A₁	2278	2175	161.38
3	A₁	1254	1197	134.77
4	A₁	651	622	164.48
5	E	2235	2134	369.84
5	E	2235	2134	369.84
6	E	1314	1255	15.44
6	E	1314	1255	15.44
7	E	1173	1120	27.82
7	E	1173	1120	27.82
8	E	451	431	0.17
8	E	451	431	0.17

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.478
B2	0.000	0.000	0.520
H3	0.000	0.000	1.719
H4	0.000	1.158	0.037
H5	1.003	-0.579	0.037
H6	-1.003	-0.579	0.037

	Li1	B2	H3	H4	H5	H6
Li1		1.9982	3.1964	1.9071	1.9071	1.9071
B2	1.9982		1.1982	1.2550	1.2550	1.2550
H3	3.1964	1.1982		2.0417	2.0417	2.0417
H4	1.9071	1.2550	2.0417		2.0062	2.0062
H5	1.9071	1.2550	2.0417	2.0062		2.0062
H6	1.9071	1.2550	2.0417	2.0062	2.0062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.360
Li1	B2	H5	67.360	Li1	B2	H6	67.360
Li1	H4	B2	75.242	Li1	H5	B2	75.242
Li1	H6	B2	75.242	H3	B2	H4	112.640
H3	B2	H5	112.640	H3	B2	H6	112.640
H4	B2	H5	106.125	H4	B2	H6	106.125
H5	B2	H6	106.124

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G

States and conformations

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