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	hartrees
Energy at 0K	-34.803294
Energy at 298.15K	-34.807406
HF Energy	-34.803294
Nuclear repulsion energy	17.376140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2629	2537	118.85
2	A₁	2262	2183	161.39
3	A₁	1251	1207	92.05
4	A₁	698	674	132.43
5	E	2224	2146	366.53
5	E	2224	2146	366.63
6	E	1294	1249	1.20
6	E	1294	1249	1.21
7	E	1124	1085	34.16
7	E	1124	1085	34.18
8	E	503	485	2.34
8	E	503	485	2.36

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.428
B2	0.000	0.000	0.506
H3	0.000	0.000	1.700
H4	0.000	1.152	0.018
H5	0.997	-0.576	0.018
H6	-0.997	-0.576	0.018

	Li1	B2	H3	H4	H5	H6
Li1		1.9341	3.1284	1.8489	1.8489	1.8489
B2	1.9341		1.1943	1.2506	1.2506	1.2506
H3	3.1284	1.1943		2.0384	2.0384	2.0384
H4	1.8489	1.2506	2.0384		1.9947	1.9947
H5	1.8489	1.2506	2.0384	1.9947		1.9947
H6	1.8489	1.2506	2.0384	1.9947	1.9947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.051
Li1	B2	H5	67.051	Li1	B2	H6	67.051
Li1	H4	B2	74.423	Li1	H5	B2	74.423
Li1	H6	B2	74.423	H3	B2	H4	112.949
H3	B2	H5	112.949	H3	B2	H6	112.949
H4	B2	H5	105.781	H4	B2	H6	105.781
H5	B2	H6	105.781

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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