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	hartrees
Energy at 0K	-34.728977
Energy at 298.15K	-34.724544
HF Energy	-34.802241
Nuclear repulsion energy	17.416678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2625	2533	110.12
2	A₁	2256	2177	162.12
3	A₁	1246	1203	89.00
4	A₁	705	681	131.66
5	E	2217	2139	345.25
5	E	2217	2139	345.19
6	E	1283	1238	0.90
6	E	1283	1238	0.90
7	E	1119	1080	29.63
7	E	1119	1080	29.63
8	E	507	489	2.41
8	E	507	489	2.41

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.415
B2	0.000	0.000	0.502
H3	0.000	0.000	1.695
H4	0.000	1.146	0.013
H5	0.993	-0.573	0.013
H6	-0.993	-0.573	0.013

	Li1	B2	H3	H4	H5	H6
Li1		1.9170	3.1100	1.8310	1.8310	1.8310
B2	1.9170		1.1930	1.2463	1.2463	1.2463
H3	3.1100	1.1930		2.0356	2.0356	2.0356
H4	1.8310	1.2463	2.0356		1.9854	1.9854
H5	1.8310	1.2463	2.0356	1.9854		1.9854
H6	1.8310	1.2463	2.0356	1.9854	1.9854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.230
Li1	B2	H5	67.230	Li1	B2	H6	67.230
Li1	H4	B2	74.634	Li1	H5	B2	74.634
Li1	H6	B2	74.634	H3	B2	H4	112.770
H3	B2	H5	112.770	H3	B2	H6	112.770
H4	B2	H5	105.981	H4	B2	H6	105.981
H5	B2	H6	105.981

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

using model chemistry: G4

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Li	-0.138
2	B	-0.118
3	H	-0.090
4	H	0.115
5	H	0.115
6	H	0.115

	x	y	z	Total
	0.000	0.000	-5.742	5.742
CHELPG
AIM
ESP

<r²>	20.891
(<r²>)^1/2	4.571

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

using model chemistry: G4

States and conformations

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