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	hartrees
Energy at 0K	-47.405381
Energy at 298.15K	-47.407774
HF Energy	-47.405381
Nuclear repulsion energy	16.139948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2967	2856	115.05
2	A₁	1113	1071	5.54
3	A₁	620	597	26.16
4	E	3036	2923	57.96
4	E	3036	2923	57.95
5	E	1469	1414	2.47
5	E	1469	1414	2.46
6	E	457	440	172.46
6	E	457	440	172.46

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.484
C2	0.000	0.000	0.419
H3	0.000	1.042	0.645
H4	-0.903	-0.521	0.645
H5	0.903	-0.521	0.645

	Li1	C2	H3	H4	H5
Li1		1.9028	2.3700	2.3700	2.3700
C2	1.9028		1.0663	1.0663	1.0663
H3	2.3700	1.0663		1.8050	1.8050
H4	2.3700	1.0663	1.8050		1.8050
H5	2.3700	1.0663	1.8050	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	102.225	Li1	C2	H4	102.225
Li1	C2	H5	102.225	H3	C2	H4	115.642
H3	C2	H5	115.642	H4	C2	H5	115.642

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

using model chemistry: TPSSh/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	0.324
2	C	-0.678
3	H	0.118
4	H	0.118
5	H	0.118

	x	y	z	Total
	0.000	0.000	-5.587	5.587
CHELPG
AIM
ESP

<r²>	19.052
(<r²>)^1/2	4.365

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

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

States and conformations

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