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	hartrees
Energy at 0K	-34.628105
Energy at 298.15K	-34.632314
HF Energy	-34.454652
Nuclear repulsion energy	17.286158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2638	2638	139.32
2	A₁	2281	2281	161.71
3	A₁	1268	1268	116.18
4	A₁	731	731	161.75
5	E	2258	2258	354.81
5	E	2258	2258	354.81
6	E	1295	1295	0.68
6	E	1295	1295	0.68
7	E	1148	1148	40.80
7	E	1148	1148	40.80
8	E	554	554	4.83
8	E	554	554	4.83

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.417
B2	0.000	0.000	0.502
H3	0.000	0.000	1.711
H4	0.000	1.160	0.011
H5	1.004	-0.580	0.011
H6	-1.004	-0.580	0.011

	Li1	B2	H3	H4	H5	H6
Li1		1.9189	3.1282	1.8392	1.8392	1.8392
B2	1.9189		1.2093	1.2594	1.2594	1.2594
H3	3.1282	1.2093		2.0583	2.0583	2.0583
H4	1.8392	1.2594	2.0583		2.0085	2.0085
H5	1.8392	1.2594	2.0583	2.0085		2.0085
H6	1.8392	1.2594	2.0583	2.0085	2.0085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.041
Li1	B2	H5	67.041	Li1	B2	H6	67.041
Li1	H4	B2	73.874	Li1	H5	B2	73.874
Li1	H6	B2	73.874	H3	B2	H4	112.959
H3	B2	H5	112.959	H3	B2	H6	112.959
H4	B2	H5	105.769	H4	B2	H6	105.769
H5	B2	H6	105.769

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

using model chemistry: CCSD=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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