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	hartrees
Energy at 0K	-34.270494
Energy at 298.15K	-34.274673
HF Energy	-34.270494
Nuclear repulsion energy	17.659677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	2774	12.07
2	A₁	2431	2144	311.25
3	A₁	1312	1157	104.93
4	A₁	807	712	111.55
5	E	2425	2139	199.64
5	E	2425	2139	199.64
6	E	1413	1246	0.37
6	E	1413	1246	0.37
7	E	1286	1135	14.02
7	E	1286	1135	14.02
8	E	601	530	3.60
8	E	601	530	3.61

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.387
B2	0.000	0.000	0.494
H3	0.000	0.000	1.653
H4	0.000	1.142	0.012
H5	0.989	-0.571	0.012
H6	-0.989	-0.571	0.012

	Li1	B2	H3	H4	H5	H6
Li1		1.8811	3.0397	1.8056	1.8056	1.8056
B2	1.8811		1.1586	1.2402	1.2402	1.2402
H3	3.0397	1.1586		1.9998	1.9998	1.9998
H4	1.8056	1.2402	1.9998		1.9787	1.9787
H5	1.8056	1.2402	1.9998	1.9787		1.9787
H6	1.8056	1.2402	1.9998	1.9787	1.9787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.087
Li1	B2	H5	67.087	Li1	B2	H6	67.087
Li1	H4	B2	73.664	Li1	H5	B2	73.664
Li1	H6	B2	73.664	H3	B2	H4	112.913
H3	B2	H5	112.913	H3	B2	H6	112.913
H4	B2	H5	105.821	H4	B2	H6	105.821
H5	B2	H6	105.821

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

using model chemistry: PBE1PBE/STO-3G

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	0.254
2	B	-0.146
3	H	-0.041
4	H	-0.022
5	H	-0.022
6	H	-0.022

	x	y	z	Total
	0.000	0.000	-4.798	4.798
CHELPG
AIM
ESP

<r²>	20.197
(<r²>)^1/2	4.494

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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