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	hartrees
Energy at 0K	-47.274214
Energy at 298.15K	-47.276552
HF Energy	-47.035044
Nuclear repulsion energy	16.281193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3032	2859	56.82
2	A₁	1092	1030	0.01
3	A₁	632	595	36.29
4	E	3114	2936	38.33
4	E	3114	2936	38.33
5	E	1464	1380	3.70
5	E	1464	1380	3.70
6	E	421	397	164.69
6	E	421	397	164.69

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.584
C2	0.000	0.000	0.388
H3	0.000	1.010	0.807
H4	-0.875	-0.505	0.807
H5	0.875	-0.505	0.807

	Li1	C2	H3	H4	H5
Li1		1.9724	2.5960	2.5960	2.5960
C2	1.9724		1.0936	1.0936	1.0936
H3	2.5960	1.0936		1.7496	1.7496
H4	2.5960	1.0936	1.7496		1.7496
H5	2.5960	1.0936	1.7496	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.528	Li1	C2	H4	112.528
Li1	C2	H5	112.528	H3	C2	H4	106.249
H3	C2	H5	106.249	H4	C2	H5	106.249

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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 CH3Li (methyl lithium)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

States and conformations

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