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	hartrees
Energy at 0K	-34.782035
Energy at 298.15K	-34.786149
HF Energy	-34.782035
Nuclear repulsion energy	17.418817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2614	2501	121.38
2	A₁	2256	2158	146.75
3	A₁	1225	1172	97.76
4	A₁	702	672	161.38
5	E	2238	2141	331.91
5	E	2238	2141	331.85
6	E	1276	1221	2.42
6	E	1276	1221	2.42
7	E	1105	1058	25.47
7	E	1105	1058	25.46
8	E	505	483	4.60
8	E	505	483	4.61

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.414
B2	0.000	0.000	0.501
H3	0.000	0.000	1.695
H4	0.000	1.147	0.014
H5	0.993	-0.574	0.014
H6	-0.993	-0.574	0.014

	Li1	B2	H3	H4	H5	H6
Li1		1.9153	3.1095	1.8320	1.8320	1.8320
B2	1.9153		1.1942	1.2462	1.2462	1.2462
H3	3.1095	1.1942		2.0352	2.0352	2.0352
H4	1.8320	1.2462	2.0352		1.9869	1.9869
H5	1.8320	1.2462	2.0352	1.9869		1.9869
H6	1.8320	1.2462	2.0352	1.9869	1.9869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.001
Li1	B2	H5	67.001	Li1	B2	H6	67.001
Li1	H4	B2	74.233	Li1	H5	B2	74.233
Li1	H6	B2	74.233	H3	B2	H4	112.999
H3	B2	H5	112.999	H3	B2	H6	112.999
H4	B2	H5	105.724	H4	B2	H6	105.724
H5	B2	H6	105.724

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

using model chemistry: mPW1PW91/6-311G**

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	0.479
2	B	-0.383
3	H	-0.027
4	H	-0.023
5	H	-0.023
6	H	-0.023

	x	y	z	Total
	0.000	0.000	-5.977	5.977
CHELPG
AIM
ESP

<r²>	20.901
(<r²>)^1/2	4.572

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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