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	hartrees
Energy at 0K	-34.627959
Energy at 298.15K	-34.632014
HF Energy	-34.456385
Nuclear repulsion energy	17.184928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2594	2513	138.77
2	A₁	2253	2183	160.98
3	A₁	1245	1206	123.68
4	A₁	670	649	166.23
5	E	2219	2149	355.24
5	E	2219	2149	355.24
6	E	1276	1236	3.09
6	E	1276	1236	3.09
7	E	1123	1087	44.64
7	E	1123	1087	44.64
8	E	471	457	4.62
8	E	471	457	4.62

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.439
B2	0.000	0.000	0.511
H3	0.000	0.000	1.720
H4	0.000	1.158	0.013
H5	1.003	-0.579	0.013
H6	-1.003	-0.579	0.013

	Li1	B2	H3	H4	H5	H6
Li1		1.9500	3.1584	1.8570	1.8570	1.8570
B2	1.9500		1.2085	1.2607	1.2607	1.2607
H3	3.1584	1.2085		2.0625	2.0625	2.0625
H4	1.8570	1.2607	2.0625		2.0058	2.0058
H5	1.8570	1.2607	2.0625	2.0058		2.0058
H6	1.8570	1.2607	2.0625	2.0058	2.0058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.718
Li1	B2	H5	66.718	Li1	B2	H6	66.718
Li1	H4	B2	74.702	Li1	H5	B2	74.702
Li1	H6	B2	74.702	H3	B2	H4	113.282
H3	B2	H5	113.282	H3	B2	H6	113.282
H4	B2	H5	105.406	H4	B2	H6	105.406
H5	B2	H6	105.406

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

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