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	hartrees
Energy at 0K	-34.730665
Energy at 298.15K	-34.734780
HF Energy	-34.730665
Nuclear repulsion energy	17.411071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2607	2504	119.77
2	A₁	2250	2161	146.51
3	A₁	1220	1171	97.75
4	A₁	703	675	159.20
5	E	2235	2146	327.29
5	E	2235	2146	327.32
6	E	1271	1220	2.30
6	E	1271	1220	2.28
7	E	1098	1054	24.47
7	E	1098	1054	24.48
8	E	508	488	4.45
8	E	508	488	4.46

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.413
B2	0.000	0.000	0.501
H3	0.000	0.000	1.697
H4	0.000	1.148	0.013
H5	0.994	-0.574	0.013
H6	-0.994	-0.574	0.013

	Li1	B2	H3	H4	H5	H6
Li1		1.9142	3.1098	1.8306	1.8306	1.8306
B2	1.9142		1.1956	1.2477	1.2477	1.2477
H3	3.1098	1.1956		2.0381	2.0381	2.0381
H4	1.8306	1.2477	2.0381		1.9886	1.9886
H5	1.8306	1.2477	2.0381	1.9886		1.9886
H6	1.8306	1.2477	2.0381	1.9886	1.9886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.954
Li1	B2	H5	66.954	Li1	B2	H6	66.954
Li1	H4	B2	74.204	Li1	H5	B2	74.204
Li1	H6	B2	74.204	H3	B2	H4	113.046
H3	B2	H5	113.046	H3	B2	H6	113.046
H4	B2	H5	105.672	H4	B2	H6	105.672
H5	B2	H6	105.672

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

using model chemistry: HSEh1PBE/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	0.476
2	B	-0.391
3	H	-0.024
4	H	-0.020
5	H	-0.020
6	H	-0.020

	x	y	z	Total
	0.000	0.000	-5.950	5.950
CHELPG
AIM
ESP

	x	y	z
x	4.029	0.000	0.000
y	0.000	4.030	0.001
z	0.000	0.001	4.700

<r²>	20.944
(<r²>)^1/2	4.576

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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