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	hartrees
Energy at 0K	-34.546634
Energy at 298.15K	-34.550659
HF Energy	-34.546634
Nuclear repulsion energy	17.189182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2676	2566	90.97
2	A₁	2323	2227	166.73
3	A₁	1215	1165	104.29
4	A₁	670	642	165.09
5	E	2271	2178	369.93
5	E	2271	2177	369.74
6	E	1310	1256	11.20
6	E	1310	1256	11.30
7	E	1136	1090	16.55
7	E	1136	1089	16.67
8	E	456	437	0.29
8	E	455	437	0.29

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.465
B2	0.000	0.000	0.515
H3	0.000	0.000	1.706
H4	0.000	1.153	0.039
H5	0.998	-0.576	0.039
H6	-0.998	-0.576	0.039

	Li1	B2	H3	H4	H5	H6
Li1		1.9792	3.1703	1.8944	1.8944	1.8944
B2	1.9792		1.1912	1.2472	1.2472	1.2472
H3	3.1703	1.1912		2.0269	2.0269	2.0269
H4	1.8944	1.2472	2.0269		1.9968	1.9968
H5	1.8944	1.2472	2.0269	1.9968		1.9968
H6	1.8944	1.2472	2.0269	1.9968	1.9968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.570
Li1	B2	H5	67.570	Li1	B2	H6	67.570
Li1	H4	B2	74.946	Li1	H5	B2	74.946
Li1	H6	B2	74.946	H3	B2	H4	112.430
H3	B2	H5	112.430	H3	B2	H6	112.430
H4	B2	H5	106.357	H4	B2	H6	106.357
H5	B2	H6	106.357

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

using model chemistry: M06-2X/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	0.506
2	B	-0.487
3	H	0.012
4	H	-0.010
5	H	-0.010
6	H	-0.010

	x	y	z	Total
	0.000	0.000	-6.292	6.292
CHELPG
AIM
ESP

	x	y	z
x	3.277	0.000	0.000
y	0.000	3.264	-0.001
z	0.000	-0.001	4.509

<r²>	21.556
(<r²>)^1/2	4.643

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

using model chemistry: M06-2X/3-21G

States and conformations

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