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	hartrees
Energy at 0K	-34.620993
Energy at 298.15K	-34.625061
HF Energy	-34.454790
Nuclear repulsion energy	17.133495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2617	2479	139.81
2	A₁	2269	2150	166.40
3	A₁	1249	1184	119.19
4	A₁	673	637	165.94
5	E	2241	2123	365.57
5	E	2241	2123	365.57
6	E	1280	1212	2.05
6	E	1280	1212	2.05
7	E	1131	1071	42.33
7	E	1131	1071	42.33
8	E	480	454	3.85
8	E	480	454	3.85

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.447
B2	0.000	0.000	0.513
H3	0.000	0.000	1.724
H4	0.000	1.161	0.017
H5	1.005	-0.580	0.017
H6	-1.005	-0.580	0.017

	Li1	B2	H3	H4	H5	H6
Li1		1.9595	3.1705	1.8679	1.8679	1.8679
B2	1.9595		1.2110	1.2622	1.2622	1.2622
H3	3.1705	1.2110		2.0642	2.0642	2.0642
H4	1.8679	1.2622	2.0642		2.0104	2.0104
H5	1.8679	1.2622	2.0642	2.0104		2.0104
H6	1.8679	1.2622	2.0642	2.0104	2.0104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.862
Li1	B2	H5	66.862	Li1	B2	H6	66.862
Li1	H4	B2	74.720	Li1	H5	B2	74.720
Li1	H6	B2	74.720	H3	B2	H4	113.138
H3	B2	H5	113.138	H3	B2	H6	113.138
H4	B2	H5	105.568	H4	B2	H6	105.568
H5	B2	H6	105.568

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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