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	hartrees
Energy at 0K	-34.530517
Energy at 298.15K	-34.534559
HF Energy	-34.530517
Nuclear repulsion energy	17.345278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2568	2539	95.13
2	A₁	2232	2207	121.64
3	A₁	1142	1129	71.70
4	A₁	693	685	146.59
5	E	2251	2225	242.09
5	E	2250	2225	242.01
6	E	1205	1192	0.76
6	E	1205	1192	0.76
7	E	1019	1008	15.64
7	E	1019	1008	15.64
8	E	488	483	4.32
8	E	488	483	4.31

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.409
B2	0.000	0.000	0.497
H3	0.000	0.000	1.707
H4	0.000	1.158	0.011
H5	1.003	-0.579	0.011
H6	-1.003	-0.579	0.011

	Li1	B2	H3	H4	H5	H6
Li1		1.9064	3.1164	1.8324	1.8324	1.8324
B2	1.9064		1.2100	1.2556	1.2556	1.2556
H3	3.1164	1.2100		2.0535	2.0535	2.0535
H4	1.8324	1.2556	2.0535		2.0053	2.0053
H5	1.8324	1.2556	2.0535	2.0053		2.0053
H6	1.8324	1.2556	2.0535	2.0053	2.0053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.228
Li1	B2	H5	67.228	Li1	B2	H6	67.228
Li1	H4	B2	73.588	Li1	H5	B2	73.588
Li1	H6	B2	73.588	H3	B2	H4	112.772
H3	B2	H5	112.772	H3	B2	H6	112.772
H4	B2	H5	105.978	H4	B2	H6	105.978
H5	B2	H6	105.978

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

using model chemistry: LSDA/aug-cc-pVDZ

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	-0.711
2	B	-2.512
3	H	0.940
4	H	0.761
5	H	0.761
6	H	0.761

	x	y	z	Total
	0.000	0.000	-5.779	5.779
CHELPG
AIM
ESP

<r²>	21.239
(<r²>)^1/2	4.609

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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