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	hartrees
Energy at 0K	-34.591130
Energy at 298.15K	-34.595305
HF Energy	-34.449806
Nuclear repulsion energy	17.296528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2651	2518	117.46
2	A₁	2293	2178	153.47
3	A₁	1267	1204	95.19
4	A₁	710	674	145.70
5	E	2273	2159	334.91
5	E	2273	2159	334.91
6	E	1307	1241	2.79
6	E	1307	1241	2.79
7	E	1158	1099	28.68
7	E	1158	1099	28.69
8	E	544	517	1.92
8	E	544	517	1.92

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.435
B2	0.000	0.000	0.503
H3	0.000	0.000	1.702
H4	0.000	1.155	0.029
H5	1.000	-0.577	0.029
H6	-1.000	-0.577	0.029

	Li1	B2	H3	H4	H5	H6
Li1		1.9377	3.1369	1.8641	1.8641	1.8641
B2	1.9377		1.1992	1.2484	1.2484	1.2484
H3	3.1369	1.1992		2.0333	2.0333	2.0333
H4	1.8641	1.2484	2.0333		2.0001	2.0001
H5	1.8641	1.2484	2.0333	2.0001		2.0001
H6	1.8641	1.2484	2.0333	2.0001	2.0001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.668
Li1	B2	H5	67.668	Li1	B2	H6	67.668
Li1	H4	B2	74.055	Li1	H5	B2	74.055
Li1	H6	B2	74.055	H3	B2	H4	112.332
H3	B2	H5	112.332	H3	B2	H6	112.332
H4	B2	H5	106.465	H4	B2	H6	106.465
H5	B2	H6	106.465

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

using model chemistry: CCSD=FULL/6-31G*

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

using model chemistry: CCSD=FULL/6-31G*

States and conformations

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