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	hartrees
Energy at 0K	-34.644281
Energy at 298.15K	-34.648396
HF Energy	-34.456393
Nuclear repulsion energy	17.283379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2600	2525
2	A₁	2265	2200
3	A₁	1274	1238
4	A₁	692	672
5	E	2244	2179
5	E	2244	2179
6	E	1293	1256
6	E	1293	1256
7	E	1129	1096
7	E	1129	1096
8	E	499	484
8	E	498	484

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.422
B2	0.000	0.000	0.504
H3	0.000	0.000	1.711
H4	0.000	1.157	0.011
H5	1.002	-0.578	0.011
H6	-1.002	-0.578	0.011

	Li1	B2	H3	H4	H5	H6
Li1		1.9258	3.1326	1.8417	1.8417	1.8417
B2	1.9258		1.2069	1.2572	1.2572	1.2572
H3	3.1326	1.2069		2.0557	2.0557	2.0557
H4	1.8417	1.2572	2.0557		2.0034	2.0034
H5	1.8417	1.2572	2.0557	2.0034		2.0035
H6	1.8417	1.2572	2.0557	2.0034	2.0035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.933
Li1	B2	H5	66.933	Li1	B2	H6	66.933
Li1	H4	B2	74.161	Li1	H5	B2	74.161
Li1	H6	B2	74.161	H3	B2	H4	113.067
H3	B2	H5	113.067	H3	B2	H6	113.067
H4	B2	H5	105.648	H4	B2	H6	105.648
H5	B2	H6	105.648

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

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

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