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	hartrees
Energy at 0K	-34.698075
Energy at 298.15K	-34.702262
HF Energy	-34.470654
Nuclear repulsion energy	17.600922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2670	2554	132.96
2	A₁	2319	2217	145.96
3	A₁	1277	1222	110.57
4	A₁	716	685	160.80
5	E	2309	2208	315.59
5	E	2309	2208	315.59
6	E	1317	1260	1.46
6	E	1317	1260	1.46
7	E	1140	1090	32.56
7	E	1140	1090	32.56
8	E	539	516	5.17
8	E	539	516	5.17

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.396
B2	0.000	0.000	0.497
H3	0.000	0.000	1.683
H4	0.000	1.133	0.007
H5	0.982	-0.567	0.007
H6	-0.982	-0.567	0.007

	Li1	B2	H3	H4	H5	H6
Li1		1.8929	3.0794	1.8034	1.8034	1.8034
B2	1.8929		1.1865	1.2349	1.2349	1.2349
H3	3.0794	1.1865		2.0238	2.0238	2.0238
H4	1.8034	1.2349	2.0238		1.9631	1.9631
H5	1.8034	1.2349	2.0238	1.9631		1.9631
H6	1.8034	1.2349	2.0238	1.9631	1.9631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.610
Li1	B2	H5	66.610	Li1	B2	H6	66.610
Li1	H4	B2	74.451	Li1	H5	B2	74.451
Li1	H6	B2	74.451	H3	B2	H4	113.390
H3	B2	H5	113.390	H3	B2	H6	113.390
H4	B2	H5	105.284	H4	B2	H6	105.284
H5	B2	H6	105.284

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

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVQZ

States and conformations

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