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	hartrees
Energy at 0K	-34.542545
Energy at 298.15K	-34.546645
HF Energy	-34.542545
Nuclear repulsion energy	17.464255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2578	2547	87.93
2	A₁	2237	2210	117.09
3	A₁	1154	1140	72.33
4	A₁	711	702	148.19
5	E	2252	2224	246.47
5	E	2252	2224	246.43
6	E	1226	1211	1.07
6	E	1226	1211	1.07
7	E	1035	1023	10.83
7	E	1035	1023	10.83
8	E	517	511	4.85
8	E	517	511	4.85

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.403
B2	0.000	0.000	0.496
H3	0.000	0.000	1.695
H4	0.000	1.148	0.012
H5	0.994	-0.574	0.012
H6	-0.994	-0.574	0.012

	Li1	B2	H3	H4	H5	H6
Li1		1.8984	3.0979	1.8218	1.8218	1.8218
B2	1.8984		1.1995	1.2456	1.2456	1.2456
H3	3.0979	1.1995		2.0373	2.0373	2.0373
H4	1.8218	1.2456	2.0373		1.9881	1.9881
H5	1.8218	1.2456	2.0373	1.9881		1.9881
H6	1.8218	1.2456	2.0373	1.9881	1.9881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.148
Li1	B2	H5	67.148	Li1	B2	H6	67.148
Li1	H4	B2	73.797	Li1	H5	B2	73.797
Li1	H6	B2	73.797	H3	B2	H4	112.852
H3	B2	H5	112.852	H3	B2	H6	112.852
H4	B2	H5	105.889	H4	B2	H6	105.889
H5	B2	H6	105.889

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

using model chemistry: LSDA/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	0.428
2	B	-0.501
3	H	0.007
4	H	0.022
5	H	0.022
6	H	0.022

	x	y	z	Total
	0.000	0.000	-5.799	5.799
CHELPG
AIM
ESP

<r²>	20.946
(<r²>)^1/2	4.577

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

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

States and conformations

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