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	hartrees
Energy at 0K	-34.675965
Energy at 298.15K	-34.680062
HF Energy	-34.471036
Nuclear repulsion energy	17.372229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2612	2511
2	A₁	2259	2172
3	A₁	1248	1200
4	A₁	687	660
5	E	2236	2149
5	E	2235	2149
6	E	1289	1239
6	E	1288	1239
7	E	1122	1078
7	E	1120	1077
8	E	494	475
8	E	494	475

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.427
B2	0.000	0.000	0.506
H3	0.000	0.000	1.700
H4	0.000	1.145	0.017
H5	0.991	-0.572	0.017
H6	-0.991	-0.572	0.017

	Li1	B2	H3	H4	H5	H6
Li1		1.9335	3.1271	1.8426	1.8426	1.8426
B2	1.9335		1.1936	1.2451	1.2451	1.2451
H3	3.1271	1.1936		2.0356	2.0356	2.0356
H4	1.8426	1.2451	2.0356		1.9828	1.9828
H5	1.8426	1.2451	2.0356	1.9828		1.9828
H6	1.8426	1.2451	2.0356	1.9828	1.9828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.843
Li1	B2	H5	66.843	Li1	B2	H6	66.843
Li1	H4	B2	74.749	Li1	H5	B2	74.749
Li1	H6	B2	74.749	H3	B2	H4	113.157
H3	B2	H5	113.157	H3	B2	H6	113.157
H4	B2	H5	105.547	H4	B2	H6	105.547
H5	B2	H6	105.547

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

using model chemistry: CCSD(T)/aug-cc-pVQZ

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(T)/aug-cc-pVQZ

States and conformations

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