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	hartrees
Energy at 0K	-47.368475
Energy at 298.15K	-47.370855
HF Energy	-47.368475
Nuclear repulsion energy	16.067467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2901	2886	120.13
2	A₁	1054	1048	23.94
3	A₁	603	599	13.83
4	E	2971	2955	39.59
4	E	2971	2955	39.58
5	E	1420	1412	2.01
5	E	1420	1412	2.01
6	E	462	460	167.98
6	E	462	460	167.96

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.604
C2	0.000	0.000	0.396
H3	0.000	1.027	0.813
H4	-0.889	-0.513	0.813
H5	0.889	-0.513	0.813

	Li1	C2	H3	H4	H5
Li1		1.9991	2.6252	2.6252	2.6252
C2	1.9991		1.1081	1.1081	1.1081
H3	2.6252	1.1081		1.7783	1.7783
H4	2.6252	1.1081	1.7783		1.7783
H5	2.6252	1.1081	1.7783	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.104	Li1	C2	H4	112.104
Li1	C2	H5	112.104	H3	C2	H4	106.715
H3	C2	H5	106.715	H4	C2	H5	106.715

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

using model chemistry: BLYP/6-31+G**

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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Number	Element	Mulliken
1	Li	0.319
2	C	-0.667
3	H	0.116
4	H	0.116
5	H	0.116

	x	y	z	Total
	0.000	0.000	-5.326	5.326
CHELPG
AIM
ESP

	x	y	z
x	5.580	0.000	0.000
y	0.000	5.581	0.002
z	0.000	0.002	9.304

<r²>	19.526
(<r²>)^1/2	4.419

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

using model chemistry: BLYP/6-31+G**

States and conformations

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