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	hartrees
Energy at 0K	-233.527252
Energy at 298.15K
Nuclear repulsion energy	39.372885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2970	2895	28.23
2	A₁	1119	1090	4.65
3	A₁	406	396	2.47
4	E	3100	3021	20.65
4	E	3100	3021	20.67
5	E	1459	1422	5.55
5	E	1459	1422	5.55
6	E	617	601	2.74
6	E	617	601	2.73

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.501
C2	0.000	0.000	-1.557
H3	0.000	1.044	-1.897
H4	0.904	-0.522	-1.897
H5	-0.904	-0.522	-1.897

	Zn1	C2	H3	H4	H5
Zn1		2.0577	2.6158	2.6158	2.6158
C2	2.0577		1.0981	1.0981	1.0981
H3	2.6158	1.0981		1.8080	1.8080
H4	2.6158	1.0981	1.8080		1.8080
H5	2.6158	1.0981	1.8080	1.8080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	108.082	Zn1	C2	H4	108.082
Zn1	C2	H5	108.082	H3	C2	H4	110.824
H3	C2	H5	110.824	H4	C2	H5	110.824

All results from a given calculation for ZnCH₃ (Zinc monomethyl)

using model chemistry: B3LYP/CEP-121G

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	Zn	0.234
2	C	-0.683
3	H	0.150
4	H	0.150
5	H	0.150

	x	y	z	Total
	0.000	0.000	-0.285	0.285
CHELPG
AIM
ESP

	x	y	z
x	6.686	0.000	0.000
y	0.000	6.688	-0.000
z	0.000	-0.000	9.850

<r²>	42.936
(<r²>)^1/2	6.553

All results from a given calculation for ZnCH3 (Zinc monomethyl)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for ZnCH₃ (Zinc monomethyl)