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	hartrees
Energy at 0K	-47.308435
Energy at 298.15K	-47.310751
HF Energy	-47.039507
Nuclear repulsion energy	16.354246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3028	2896	51.88
2	A₁	1084	1037	0.22
3	A₁	639	611	37.84
4	E	3115	2979	39.60
4	E	3115	2979	39.60
5	E	1459	1395	4.17
5	E	1459	1395	4.17
6	E	408	390	161.51
6	E	408	390	161.51

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.571
C2	0.000	0.000	0.384
H3	0.000	1.008	0.803
H4	-0.873	-0.504	0.803
H5	0.873	-0.504	0.803

	Li1	C2	H3	H4	H5
Li1		1.9552	2.5790	2.5790	2.5790
C2	1.9552		1.0915	1.0915	1.0915
H3	2.5790	1.0915		1.7460	1.7460
H4	2.5790	1.0915	1.7460		1.7460
H5	2.5790	1.0915	1.7460	1.7460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.553	Li1	C2	H4	112.553
Li1	C2	H5	112.553	H3	C2	H4	106.221
H3	C2	H5	106.221	H4	C2	H5	106.221

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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