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	hartrees
Energy at 0K	-34.793116
Energy at 298.15K	-34.797135
HF Energy	-34.793116
Nuclear repulsion energy	17.258066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2581	2469	136.69
2	A₁	2262	2163	146.57
3	A₁	1224	1171	91.32
4	A₁	648	620	178.07
5	E	2252	2154	359.75
5	E	2251	2154	361.21
6	E	1278	1222	3.13
6	E	1278	1222	3.10
7	E	1114	1066	27.88
7	E	1114	1066	27.92
8	E	461	441	5.80
8	E	461	441	5.76

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.435
B2	0.000	0.000	0.507
H3	0.000	0.000	1.703
H4	0.000	1.154	0.023
H5	0.999	-0.577	0.023
H6	-0.999	-0.577	0.023

	Li1	B2	H3	H4	H5	H6
Li1		1.9417	3.1382	1.8591	1.8591	1.8591
B2	1.9417		1.1965	1.2509	1.2509	1.2509
H3	3.1382	1.1965		2.0381	2.0381	2.0381
H4	1.8591	1.2509	2.0381		1.9980	1.9980
H5	1.8591	1.2509	2.0381	1.9980		1.9980
H6	1.8591	1.2509	2.0381	1.9980	1.9980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.249
Li1	B2	H5	67.249	Li1	B2	H6	67.249
Li1	H4	B2	74.399	Li1	H5	B2	74.399
Li1	H6	B2	74.399	H3	B2	H4	112.751
H3	B2	H5	112.751	H3	B2	H6	112.751
H4	B2	H5	106.002	H4	B2	H6	106.002
H5	B2	H6	106.002

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

using model chemistry: wB97X-D/6-311G**

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	0.512
2	B	-0.306
3	H	-0.039
4	H	-0.056
5	H	-0.056
6	H	-0.056

	x	y	z	Total
	0.000	0.000	-6.301	6.301
CHELPG
AIM
ESP

	x	y	z
x	4.045	0.000	0.000
y	0.000	4.041	0.003
z	0.000	0.003	4.675

<r²>	21.265
(<r²>)^1/2	4.611

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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