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	hartrees
Energy at 0K	-34.627796
Energy at 298.15K	-34.631852
HF Energy	-34.456387
Nuclear repulsion energy	17.186838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2595	2500	138.63
2	A₁	2255	2173	161.82
3	A₁	1246	1200	123.61
4	A₁	670	646	166.49
5	E	2221	2139	355.47
5	E	2221	2139	355.47
6	E	1276	1230	3.09
6	E	1276	1230	3.09
7	E	1123	1082	44.55
7	E	1123	1082	44.55
8	E	472	454	4.64
8	E	472	454	4.64

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.438
B2	0.000	0.000	0.511
H3	0.000	0.000	1.720
H4	0.000	1.158	0.013
H5	1.003	-0.579	0.013
H6	-1.003	-0.579	0.013

	Li1	B2	H3	H4	H5	H6
Li1		1.9498	3.1581	1.8569	1.8569	1.8569
B2	1.9498		1.2084	1.2605	1.2605	1.2605
H3	3.1581	1.2084		2.0622	2.0622	2.0622
H4	1.8569	1.2605	2.0622		2.0056	2.0056
H5	1.8569	1.2605	2.0622	2.0056		2.0056
H6	1.8569	1.2605	2.0622	2.0056	2.0056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.724
Li1	B2	H5	66.724	Li1	B2	H6	66.724
Li1	H4	B2	74.698	Li1	H5	B2	74.698
Li1	H6	B2	74.698	H3	B2	H4	113.276
H3	B2	H5	113.276	H3	B2	H6	113.276
H4	B2	H5	105.413	H4	B2	H6	105.413
H5	B2	H6	105.413

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

using model chemistry: CCSD/aug-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/aug-cc-pVDZ

States and conformations

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