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	hartrees
Energy at 0K	-34.800507
Energy at 298.15K	-34.804575
HF Energy	-34.800507
Nuclear repulsion energy	17.315549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2608	2514	137.62
2	A₁	2264	2183	155.42
3	A₁	1228	1184	104.45
4	A₁	686	661	163.52
5	E	2226	2146	351.88
5	E	2226	2146	351.83
6	E	1276	1231	2.77
6	E	1276	1231	2.77
7	E	1119	1079	25.13
7	E	1119	1079	25.13
8	E	484	466	2.97
8	E	484	466	2.98

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.435
B2	0.000	0.000	0.506
H3	0.000	0.000	1.703
H4	0.000	1.149	0.024
H5	0.995	-0.575	0.024
H6	-0.995	-0.575	0.024

	Li1	B2	H3	H4	H5	H6
Li1		1.9411	3.1377	1.8570	1.8570	1.8570
B2	1.9411		1.1967	1.2467	1.2467	1.2467
H3	3.1377	1.1967		2.0350	2.0350	2.0350
H4	1.8570	1.2467	2.0350		1.9910	1.9910
H5	1.8570	1.2467	2.0350	1.9910		1.9910
H6	1.8570	1.2467	2.0350	1.9910	1.9910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.227
Li1	B2	H5	67.227	Li1	B2	H6	67.227
Li1	H4	B2	74.531	Li1	H5	B2	74.531
Li1	H6	B2	74.531	H3	B2	H4	112.773
H3	B2	H5	112.773	H3	B2	H6	112.773
H4	B2	H5	105.977	H4	B2	H6	105.977
H5	B2	H6	105.977

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

using model chemistry: B3LYP/6-31+G**

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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Number	Element	Mulliken
1	Li	0.606
2	B	-0.502
3	H	-0.039
4	H	-0.022
5	H	-0.022
6	H	-0.022

	x	y	z	Total
	0.000	0.000	-6.081	6.081
CHELPG
AIM
ESP

<r²>	21.323
(<r²>)^1/2	4.618

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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