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	hartrees
Energy at 0K	-34.630599
Energy at 298.15K	-34.634662
HF Energy	-34.462835
Nuclear repulsion energy	17.364389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2651	2513	136.13
2	A₁	2298	2178	151.46
3	A₁	1279	1213	153.11
4	A₁	692	656	196.83
5	E	2269	2151	364.34
5	E	2269	2151	364.34
6	E	1303	1235	6.28
6	E	1303	1235	6.28
7	E	1160	1099	44.06
7	E	1160	1099	44.06
8	E	463	439	3.32
8	E	463	439	3.32

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.429
B2	0.000	0.000	0.507
H3	0.000	0.000	1.700
H4	0.000	1.144	0.017
H5	0.991	-0.572	0.017
H6	-0.991	-0.572	0.017

	Li1	B2	H3	H4	H5	H6
Li1		1.9368	3.1299	1.8442	1.8442	1.8442
B2	1.9368		1.1931	1.2447	1.2447	1.2447
H3	3.1299	1.1931		2.0353	2.0353	2.0353
H4	1.8442	1.2447	2.0353		1.9814	1.9814
H5	1.8442	1.2447	2.0353	1.9814		1.9814
H6	1.8442	1.2447	2.0353	1.9814	1.9814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.797
Li1	B2	H5	66.797	Li1	B2	H6	66.797
Li1	H4	B2	74.863	Li1	H5	B2	74.863
Li1	H6	B2	74.863	H3	B2	H4	113.203
H3	B2	H5	113.203	H3	B2	H6	113.203
H4	B2	H5	105.496	H4	B2	H6	105.496
H5	B2	H6	105.495

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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