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	hartrees
Energy at 0K	-34.537968
Energy at 298.15K	-34.542072
HF Energy	-34.537968
Nuclear repulsion energy	17.460937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2564	2522	95.39
2	A₁	2224	2188	118.49
3	A₁	1162	1143	78.71
4	A₁	714	702	149.29
5	E	2241	2204	248.27
5	E	2241	2204	248.23
6	E	1233	1213	1.54
6	E	1233	1213	1.54
7	E	1040	1023	10.96
7	E	1040	1023	10.95
8	E	522	514	4.76
8	E	522	514	4.77

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.400
B2	0.000	0.000	0.496
H3	0.000	0.000	1.697
H4	0.000	1.148	0.009
H5	0.995	-0.574	0.009
H6	-0.995	-0.574	0.009

	Li1	B2	H3	H4	H5	H6
Li1		1.8960	3.0973	1.8181	1.8181	1.8181
B2	1.8960		1.2013	1.2473	1.2472	1.2472
H3	3.0973	1.2013		2.0415	2.0415	2.0415
H4	1.8181	1.2473	2.0415		1.9892	1.9892
H5	1.8181	1.2472	2.0415	1.9892		1.9892
H6	1.8181	1.2472	2.0415	1.9892	1.9892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.040
Li1	B2	H5	67.040	Li1	B2	H6	67.040
Li1	H4	B2	73.787	Li1	H5	B2	73.787
Li1	H6	B2	73.787	H3	B2	H4	112.960
H3	B2	H5	112.960	H3	B2	H6	112.960
H4	B2	H5	105.768	H4	B2	H6	105.768
H5	B2	H6	105.768

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

using model chemistry: LSDA/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	0.424
2	B	-0.763
3	H	0.079
4	H	0.087
5	H	0.087
6	H	0.087

	x	y	z	Total
	0.000	0.000	-5.805	5.805
CHELPG
AIM
ESP

<r²>	20.961
(<r²>)^1/2	4.578

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

using model chemistry: LSDA/6-311G*

States and conformations

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