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	hartrees
Energy at 0K	-34.749243
Energy at 298.15K	-34.753269
HF Energy	-34.749243
Nuclear repulsion energy	17.232972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2553	2539	128.36
2	A₁	2217	2205	146.12
3	A₁	1193	1187	98.98
4	A₁	674	671	156.76
5	E	2177	2166	338.75
5	E	2177	2166	338.72
6	E	1245	1238	1.87
6	E	1245	1238	1.87
7	E	1090	1084	22.23
7	E	1090	1084	22.23
8	E	470	468	2.70
8	E	470	468	2.70

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.441
B2	0.000	0.000	0.509
H3	0.000	0.000	1.711
H4	0.000	1.155	0.023
H5	1.000	-0.578	0.023
H6	-1.000	-0.578	0.023

	Li1	B2	H3	H4	H5	H6
Li1		1.9497	3.1525	1.8649	1.8649	1.8649
B2	1.9497		1.2027	1.2530	1.2530	1.2530
H3	3.1525	1.2027		2.0456	2.0456	2.0456
H4	1.8649	1.2530	2.0456		2.0006	2.0006
H5	1.8649	1.2530	2.0456	2.0006		2.0006
H6	1.8649	1.2530	2.0456	2.0006	2.0006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.199
Li1	B2	H5	67.199	Li1	B2	H6	67.199
Li1	H4	B2	74.532	Li1	H5	B2	74.532
Li1	H6	B2	74.532	H3	B2	H4	112.801
H3	B2	H5	112.801	H3	B2	H6	112.801
H4	B2	H5	105.946	H4	B2	H6	105.946
H5	B2	H6	105.946

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

using model chemistry: BLYP/6-31+G**

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	0.584
2	B	-0.531
3	H	-0.031
4	H	-0.007
5	H	-0.007
6	H	-0.007

	x	y	z	Total
	0.000	0.000	-6.023	6.023
CHELPG
AIM
ESP

<r²>	21.563
(<r²>)^1/2	4.644

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

using model chemistry: BLYP/6-31+G**

States and conformations

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