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	hartrees
Energy at 0K	-34.583809
Energy at 298.15K	-34.587932
HF Energy	-34.449921
Nuclear repulsion energy	17.222284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2644	2497	117.93
2	A₁	2287	2159	155.74
3	A₁	1258	1188	96.02
4	A₁	701	662	149.25
5	E	2263	2137	341.24
5	E	2263	2137	341.24
6	E	1300	1228	3.59
6	E	1300	1228	3.59
7	E	1148	1084	29.25
7	E	1148	1084	29.26
8	E	513	484	1.69
8	E	513	484	1.69

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.448
B2	0.000	0.000	0.509
H3	0.000	0.000	1.709
H4	0.000	1.155	0.031
H5	1.001	-0.578	0.031
H6	-1.001	-0.578	0.031

	Li1	B2	H3	H4	H5	H6
Li1		1.9568	3.1574	1.8770	1.8770	1.8770
B2	1.9568		1.2006	1.2502	1.2502	1.2502
H3	3.1574	1.2006		2.0374	2.0374	2.0374
H4	1.8770	1.2502	2.0374		2.0012	2.0012
H5	1.8770	1.2502	2.0374	2.0012		2.0012
H6	1.8770	1.2502	2.0374	2.0012	2.0012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.546
Li1	B2	H5	67.546	Li1	B2	H6	67.546
Li1	H4	B2	74.463	Li1	H5	B2	74.463
Li1	H6	B2	74.463	H3	B2	H4	112.454
H3	B2	H5	112.454	H3	B2	H6	112.454
H4	B2	H5	106.330	H4	B2	H6	106.330
H5	B2	H6	106.330

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

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

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