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	hartrees
Energy at 0K	-1810.494303
Energy at 298.15K
Nuclear repulsion energy	80.554838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3066	2911	14.65
2	A₁	1324	1257	3.65
3	A₁	650	618	15.00
4	E	3140	2982	9.47
4	E	3140	2982	9.46
5	E	1489	1414	12.94
5	E	1489	1414	12.94
6	E	663	630	3.15
6	E	663	630	3.14

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.457
C2	0.000	0.000	-1.386
H3	0.000	1.017	-1.794
H4	0.881	-0.508	-1.794
H5	-0.881	-0.508	-1.794

	Zn1	C2	H3	H4	H5
Zn1		1.8431	2.4701	2.4701	2.4701
C2	1.8431		1.0957	1.0957	1.0957
H3	2.4701	1.0957		1.7614	1.7614
H4	2.4701	1.0957	1.7614		1.7614
H5	2.4701	1.0957	1.7614	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	111.858	Zn1	C2	H4	111.858
Zn1	C2	H5	111.858	H3	C2	H4	106.983
H3	C2	H5	106.983	H4	C2	H5	106.983

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

using model chemistry: mPW1PW91/3-21G*

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	0.355
2	C	-1.082
3	H	0.242
4	H	0.242
5	H	0.242

	x	y	z	Total
	0.000	0.000	-0.412	0.412
CHELPG
AIM
ESP

	x	y	z
x	7.375	0.000	0.000
y	0.000	7.378	0.001
z	0.000	0.001	7.703

<r²>	44.955
(<r²>)^1/2	6.705

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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