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	hartrees
Energy at 0K	-34.002471
Energy at 298.15K	-34.006713
HF Energy	-34.002471
Nuclear repulsion energy	17.777743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	2702	31.08
2	A₁	2553	2084	399.37
3	A₁	1460	1192	178.40
4	A₁	833	680	148.97
5	E	2498	2039	282.15
5	E	2498	2039	282.15
6	E	1534	1253	0.98
6	E	1534	1253	0.98
7	E	1425	1163	36.82
7	E	1425	1163	36.82
8	E	607	495	7.71
8	E	607	495	7.71

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.381
B2	0.000	0.000	0.496
H3	0.000	0.000	1.644
H4	0.000	1.130	0.007
H5	0.978	-0.565	0.007
H6	-0.978	-0.565	0.007

	Li1	B2	H3	H4	H5	H6
Li1		1.8763	3.0251	1.7890	1.7890	1.7890
B2	1.8763		1.1489	1.2310	1.2310	1.2310
H3	3.0251	1.1489		1.9897	1.9897	1.9897
H4	1.7890	1.2310	1.9897		1.9567	1.9567
H5	1.7890	1.2310	1.9897	1.9567		1.9567
H6	1.7890	1.2310	1.9897	1.9567	1.9567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.592
Li1	B2	H5	66.592	Li1	B2	H6	66.592
Li1	H4	B2	74.249	Li1	H5	B2	74.249
Li1	H6	B2	74.249	H3	B2	H4	113.408
H3	B2	H5	113.408	H3	B2	H6	113.408
H4	B2	H5	105.264	H4	B2	H6	105.264
H5	B2	H6	105.264

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

using model chemistry: HF/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	0.318
2	B	-0.042
3	H	-0.071
4	H	-0.068
5	H	-0.068
6	H	-0.068

	x	y	z	Total
	0.000	0.000	-5.063	5.063
CHELPG
AIM
ESP

<r²>	20.039
(<r²>)^1/2	4.477

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

using model chemistry: HF/STO-3G

States and conformations

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