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	hartrees
Energy at 0K	-47.099995
Energy at 298.15K	-47.102317
Nuclear repulsion energy	16.260344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2925	2889	48.63
2	A₁	1040	1028	0.21
3	A₁	640	632	25.75
4	E	3005	2968	30.91
4	E	3005	2968	30.90
5	E	1380	1363	2.30
5	E	1380	1363	2.30
6	E	418	413	186.97
6	E	418	413	186.97

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.565
C2	0.000	0.000	0.378
H3	0.000	1.018	0.809
H4	-0.882	-0.509	0.809
H5	0.882	-0.509	0.809

	Li1	C2	H3	H4	H5
Li1		1.9421	2.5832	2.5832	2.5832
C2	1.9421		1.1060	1.1060	1.1060
H3	2.5832	1.1060		1.7636	1.7636
H4	2.5832	1.1060	1.7636		1.7636
H5	2.5832	1.1060	1.7636	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.987	Li1	C2	H4	112.987
Li1	C2	H5	112.987	H3	C2	H4	105.738
H3	C2	H5	105.738	H4	C2	H5	105.738

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	Li	0.408
2	C	-0.773
3	H	0.122
4	H	0.122
5	H	0.122

	x	y	z	Total
	0.000	0.000	-5.256	5.256
CHELPG
AIM
ESP

	x	y	z
x	4.675	0.000	0.000
y	0.000	4.676	0.001
z	0.000	0.001	6.244

<r²>	18.641
(<r²>)^1/2	4.317

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

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

States and conformations

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