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	hartrees
Energy at 0K	-47.031746
Energy at 298.15K	-47.034179
HF Energy	-47.031746
Nuclear repulsion energy	16.233065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	2787	97.43
2	A₁	1213	1102	0.01
3	A₁	644	585	36.16
4	E	3117	2831	89.82
4	E	3117	2831	89.82
5	E	1562	1419	2.62
5	E	1562	1419	2.62
6	E	460	418	168.69
6	E	460	418	168.69

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.595
C2	0.000	0.000	0.391
H3	0.000	1.009	0.813
H4	-0.874	-0.505	0.813
H5	0.874	-0.505	0.813

	Li1	C2	H3	H4	H5
Li1		1.9853	2.6112	2.6112	2.6112
C2	1.9853		1.0944	1.0944	1.0944
H3	2.6112	1.0944		1.7484	1.7484
H4	2.6112	1.0944	1.7484		1.7484
H5	2.6112	1.0944	1.7484	1.7484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.730	Li1	C2	H4	112.730
Li1	C2	H5	112.730	H3	C2	H4	106.025
H3	C2	H5	106.025	H4	C2	H5	106.025

All results from a given calculation for CH₃Li (methyl lithium)

using model chemistry: HF/6-311G**

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	0.487
2	C	-0.678
3	H	0.063
4	H	0.063
5	H	0.063

	x	y	z	Total
	0.000	0.000	-5.887	5.887
CHELPG
AIM
ESP

<r²>	18.622
(<r²>)^1/2	4.315

All results from a given calculation for CH3Li (methyl lithium)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CH₃Li (methyl lithium)