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	hartrees
Energy at 0K	-34.468045
Energy at 298.15K	-34.472174
HF Energy	-34.468045
Nuclear repulsion energy	17.363281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2660	2411	175.17
2	A₁	2289	2075	209.94
3	A₁	1335	1210	143.10
4	A₁	694	629	174.44
5	E	2212	2005	482.04
5	E	2212	2005	482.04
6	E	1351	1225	5.57
6	E	1351	1225	5.57
7	E	1209	1096	57.53
7	E	1209	1096	57.53
8	E	494	448	3.75
8	E	494	448	3.75

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.429
B2	0.000	0.000	0.508
H3	0.000	0.000	1.700
H4	0.000	1.151	0.016
H5	0.997	-0.576	0.016
H6	-0.997	-0.576	0.016

	Li1	B2	H3	H4	H5	H6
Li1		1.9372	3.1296	1.8479	1.8479	1.8479
B2	1.9372		1.1924	1.2517	1.2517	1.2517
H3	3.1296	1.1924		2.0399	2.0399	2.0399
H4	1.8479	1.2517	2.0399		1.9939	1.9939
H5	1.8479	1.2517	2.0399	1.9939		1.9939
H6	1.8479	1.2517	2.0399	1.9939	1.9939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.873
Li1	B2	H5	66.873	Li1	B2	H6	66.873
Li1	H4	B2	74.595	Li1	H5	B2	74.595
Li1	H6	B2	74.595	H3	B2	H4	113.127
H3	B2	H5	113.127	H3	B2	H6	113.127
H4	B2	H5	105.581	H4	B2	H6	105.581
H5	B2	H6	105.581

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

using model chemistry: HF/Def2TZVPP

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	0.725
2	B	-0.345
3	H	-0.057
4	H	-0.108
5	H	-0.108
6	H	-0.108

	x	y	z	Total
	0.000	0.000	-6.168	6.168
CHELPG
AIM
ESP

<r²>	21.102
(<r²>)^1/2	4.594

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

using model chemistry: HF/Def2TZVPP

States and conformations

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