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	hartrees
Energy at 0K	-47.225706
Energy at 298.15K	-47.228121
HF Energy	-47.024148
Nuclear repulsion energy	16.299651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	2886	30.90
2	A₁	1135	1067	11.37
3	A₁	646	607	19.94
4	E	3160	2970	29.92
4	E	3160	2970	29.92
5	E	1497	1407	8.07
5	E	1497	1407	8.07
6	E	457	430	208.76
6	E	457	430	208.76

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.580
C2	0.000	0.000	0.386
H3	0.000	1.009	0.808
H4	-0.874	-0.504	0.808
H5	0.874	-0.504	0.808

	Li1	C2	H3	H4	H5
Li1		1.9653	2.5924	2.5924	2.5924
C2	1.9653		1.0939	1.0939	1.0939
H3	2.5924	1.0939		1.7475	1.7475
H4	2.5924	1.0939	1.7475		1.7475
H5	2.5924	1.0939	1.7475	1.7475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.733	Li1	C2	H4	112.733
Li1	C2	H5	112.733	H3	C2	H4	106.022
H3	C2	H5	106.022	H4	C2	H5	106.022

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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