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	hartrees
Energy at 0K	-34.661168
Energy at 298.15K	-34.665280
HF Energy	-34.468732
Nuclear repulsion energy	17.363405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2620	2508	136.98
2	A₁	2270	2173	152.64
3	A₁	1262	1208	111.54
4	A₁	688	658	168.21
5	E	2246	2150	340.16
5	E	2246	2150	340.16
6	E	1303	1247	2.45
6	E	1303	1247	2.45
7	E	1138	1089	37.14
7	E	1138	1089	37.15
8	E	497	476	5.19
8	E	497	475	5.18

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.428
B2	0.000	0.000	0.507
H3	0.000	0.000	1.701
H4	0.000	1.145	0.017
H5	0.992	-0.573	0.017
H6	-0.992	-0.573	0.017

	Li1	B2	H3	H4	H5	H6
Li1		1.9346	3.1287	1.8438	1.8438	1.8438
B2	1.9346		1.1941	1.2453	1.2453	1.2453
H3	3.1287	1.1941		2.0361	2.0361	2.0361
H4	1.8438	1.2453	2.0361		1.9833	1.9833
H5	1.8438	1.2453	2.0361	1.9833		1.9833
H6	1.8438	1.2453	2.0361	1.9833	1.9833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.855
Li1	B2	H5	66.855	Li1	B2	H6	66.855
Li1	H4	B2	74.752	Li1	H5	B2	74.752
Li1	H6	B2	74.752	H3	B2	H4	113.145
H3	B2	H5	113.145	H3	B2	H6	113.145
H4	B2	H5	105.560	H4	B2	H6	105.560
H5	B2	H6	105.560

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

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

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