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	hartrees
Energy at 0K	-34.456436
Energy at 298.15K	-34.460546
HF Energy	-34.456436
Nuclear repulsion energy	17.255862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2654	2416	178.61
2	A₁	2283	2079	216.93
3	A₁	1322	1204	144.95
4	A₁	684	623	173.36
5	E	2208	2010	473.90
5	E	2208	2010	473.90
6	E	1335	1216	3.96
6	E	1335	1216	3.96
7	E	1193	1086	58.31
7	E	1193	1086	58.31
8	E	484	441	3.96
8	E	484	441	3.96

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.428
B2	0.000	0.000	0.509
H3	0.000	0.000	1.710
H4	0.000	1.157	0.010
H5	1.002	-0.578	0.010
H6	-1.002	-0.578	0.010

	Li1	B2	H3	H4	H5	H6
Li1		1.9363	3.1375	1.8452	1.8452	1.8452
B2	1.9363		1.2012	1.2595	1.2595	1.2595
H3	3.1375	1.2012		2.0560	2.0560	2.0560
H4	1.8452	1.2595	2.0560		2.0033	2.0033
H5	1.8452	1.2595	2.0560	2.0033		2.0033
H6	1.8452	1.2595	2.0560	2.0033	2.0033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.679
Li1	B2	H5	66.679	Li1	B2	H6	66.679
Li1	H4	B2	74.504	Li1	H5	B2	74.504
Li1	H6	B2	74.504	H3	B2	H4	113.321
H3	B2	H5	113.321	H3	B2	H6	113.321
H4	B2	H5	105.362	H4	B2	H6	105.362
H5	B2	H6	105.362

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

using model chemistry: HF/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	-0.282
2	B	-0.186
3	H	0.428
4	H	0.013
5	H	0.013
6	H	0.013

	x	y	z	Total
	0.000	0.000	-6.138	6.138
CHELPG
AIM
ESP

<r²>	21.318
(<r²>)^1/2	4.617

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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