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	hartrees
Energy at 0K	-34.525920
Energy at 298.15K	-34.529970
HF Energy	-34.525920
Nuclear repulsion energy	17.275431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2576	2555	98.78
2	A₁	2237	2220	127.92
3	A₁	1134	1125	65.64
4	A₁	693	688	144.82
5	E	2260	2242	259.26
5	E	2260	2242	259.22
6	E	1200	1191	0.05
6	E	1200	1191	0.05
7	E	1013	1005	11.80
7	E	1013	1005	11.80
8	E	499	495	4.16
8	E	499	495	4.17

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.419
B2	0.000	0.000	0.499
H3	0.000	0.000	1.713
H4	0.000	1.161	0.016
H5	1.006	-0.581	0.016
H6	-1.006	-0.581	0.016

	Li1	B2	H3	H4	H5	H6
Li1		1.9182	3.1323	1.8459	1.8459	1.8459
B2	1.9182		1.2141	1.2579	1.2579	1.2579
H3	3.1323	1.2141		2.0568	2.0568	2.0568
H4	1.8459	1.2579	2.0568		2.0115	2.0115
H5	1.8459	1.2579	2.0568	2.0115		2.0115
H6	1.8459	1.2579	2.0568	2.0115	2.0115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.401
Li1	B2	H5	67.401	Li1	B2	H6	67.401
Li1	H4	B2	73.611	Li1	H5	B2	73.611
Li1	H6	B2	73.611	H3	B2	H4	112.599
H3	B2	H5	112.599	H3	B2	H6	112.599
H4	B2	H5	106.171	H4	B2	H6	106.171
H5	B2	H6	106.171

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

using model chemistry: SVWN/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	-0.004
2	B	-0.379
3	H	-0.004
4	H	0.129
5	H	0.129
6	H	0.129

	x	y	z	Total
	0.000	0.000	-5.676	5.676
CHELPG
AIM
ESP

<r²>	21.229
(<r²>)^1/2	4.608

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

using model chemistry: SVWN/cc-pVDZ

States and conformations

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