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	hartrees
Energy at 0K	-34.324239
Energy at 298.15K	-34.328299
HF Energy	-34.324239
Nuclear repulsion energy	17.171876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2635	2591	61.64
2	A₁	2243	2207	119.50
3	A₁	1131	1112	70.84
4	A₁	680	669	145.34
5	E	2260	2222	258.92
5	E	2259	2222	258.91
6	E	1258	1238	4.91
6	E	1258	1238	4.91
7	E	1070	1053	2.81
7	E	1070	1053	2.80
8	E	495	487	0.78
8	E	495	487	0.78

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.454
B2	0.000	0.000	0.506
H3	0.000	0.000	1.708
H4	0.000	1.163	0.041
H5	1.007	-0.582	0.041
H6	-1.007	-0.582	0.041

	Li1	B2	H3	H4	H5	H6
Li1		1.9601	3.1623	1.8940	1.8940	1.8940
B2	1.9601		1.2022	1.2528	1.2528	1.2528
H3	3.1623	1.2022		2.0331	2.0331	2.0331
H4	1.8940	1.2528	2.0331		2.0147	2.0147
H5	1.8940	1.2528	2.0331	2.0147		2.0147
H6	1.8940	1.2528	2.0331	2.0147	2.0147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	68.194
Li1	B2	H5	68.194	Li1	B2	H6	68.194
Li1	H4	B2	73.917	Li1	H5	B2	73.917
Li1	H6	B2	73.917	H3	B2	H4	111.806
H3	B2	H5	111.806	H3	B2	H6	111.806
H4	B2	H5	107.039	H4	B2	H6	107.039
H5	B2	H6	107.039

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

using model chemistry: LSDA/3-21G

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	0.455
2	B	-0.650
3	H	0.047
4	H	0.049
5	H	0.049
6	H	0.049

	x	y	z	Total
	0.000	0.000	-6.003	6.003
CHELPG
AIM
ESP

<r²>	21.630
(<r²>)^1/2	4.651

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

using model chemistry: LSDA/3-21G

States and conformations

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