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	hartrees
Energy at 0K	-34.341352
Energy at 298.15K	-34.345314
HF Energy	-34.243706
Nuclear repulsion energy	16.995293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2644	2461	103.65
2	A₁	2246	2090	153.20
3	A₁	1232	1146	124.02
4	A₁	655	609	171.13
5	E	2200	2047	351.67
5	E	2200	2047	351.67
6	E	1292	1202	15.76
6	E	1292	1202	15.76
7	E	1150	1070	24.45
7	E	1150	1070	24.45
8	E	426	397	0.23
8	E	426	397	0.23

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.486
B2	0.000	0.000	0.523
H3	0.000	0.000	1.725
H4	0.000	1.163	0.039
H5	1.007	-0.581	0.039
H6	-1.007	-0.581	0.039

	Li1	B2	H3	H4	H5	H6
Li1		2.0093	3.2116	1.9181	1.9181	1.9181
B2	2.0093		1.2023	1.2593	1.2593	1.2593
H3	3.2116	1.2023		2.0480	2.0480	2.0480
H4	1.9181	1.2593	2.0480		2.0138	2.0138
H5	1.9181	1.2593	2.0480	2.0138		2.0138
H6	1.9181	1.2593	2.0480	2.0138	2.0138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.414
Li1	B2	H5	67.414	Li1	B2	H6	67.414
Li1	H4	B2	75.275	Li1	H5	B2	75.275
Li1	H6	B2	75.275	H3	B2	H4	112.586
H3	B2	H5	112.586	H3	B2	H6	112.586
H4	B2	H5	106.184	H4	B2	H6	106.184
H5	B2	H6	106.184

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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