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	hartrees
Energy at 0K	-34.758488
Energy at 298.15K	-34.762480
HF Energy	-34.758488
Nuclear repulsion energy	17.135571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2644	2532	120.31
2	A₁	2255	2160	140.56
3	A₁	1170	1120	85.15
4	A₁	663	635	147.96
5	E	2237	2142	382.79
5	E	2237	2142	382.77
6	E	1273	1220	11.67
6	E	1273	1220	11.67
7	E	1127	1079	14.80
7	E	1127	1079	14.80
8	E	448	429	1.20
8	E	448	429	1.20

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.470
B2	0.000	0.000	0.511
H3	0.000	0.000	1.707
H4	0.000	1.161	0.050
H5	1.006	-0.581	0.050
H6	-1.006	-0.581	0.050

	Li1	B2	H3	H4	H5	H6
Li1		1.9813	3.1770	1.9126	1.9126	1.9126
B2	1.9813		1.1957	1.2495	1.2495	1.2495
H3	3.1770	1.1957		2.0235	2.0235	2.0235
H4	1.9126	1.2495	2.0235		2.0112	2.0112
H5	1.9126	1.2495	2.0235	2.0112		2.0112
H6	1.9126	1.2495	2.0235	2.0112	2.0112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	68.328
Li1	B2	H5	68.328	Li1	B2	H6	68.328
Li1	H4	B2	74.293	Li1	H5	B2	74.293
Li1	H6	B2	74.293	H3	B2	H4	111.672
H3	B2	H5	111.672	H3	B2	H6	111.672
H4	B2	H5	107.183	H4	B2	H6	107.183
H5	B2	H6	107.183

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

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	Li	0.486
2	B	-0.315
3	H	-0.035
4	H	-0.046
5	H	-0.046
6	H	-0.046

	x	y	z	Total
	0.000	0.000	-6.396	6.396
CHELPG
AIM
ESP

<r²>	21.581
(<r²>)^1/2	4.646

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

using model chemistry: B3PW91/6-31G

States and conformations

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