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	hartrees
Energy at 0K	-1819.158698
Energy at 298.15K	-1819.161490
HF Energy	-1819.158698
Nuclear repulsion energy	74.544093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	2919	28.05
2	A₁	1073	1026	60.54
3	A₁	366	350	0.10
4	E	3169	3031	23.27
4	E	3169	3031	23.26
5	E	1429	1367	2.89
5	E	1429	1367	2.87
6	E	602	576	26.85
6	E	602	576	26.86

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.475
C2	0.000	0.000	-1.459
H3	0.000	1.028	-1.828
H4	0.891	-0.514	-1.828
H5	-0.891	-0.514	-1.828

	Zn1	C2	H3	H4	H5
Zn1		1.9331	2.5218	2.5218	2.5218
C2	1.9331		1.0927	1.0927	1.0927
H3	2.5218	1.0927		1.7810	1.7810
H4	2.5218	1.0927	1.7810		1.7810
H5	2.5218	1.0927	1.7810	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	109.768	Zn1	C2	H4	109.768
Zn1	C2	H5	109.768	H3	C2	H4	109.173
H3	C2	H5	109.173	H4	C2	H5	109.173

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

using model chemistry: wB97X-D/6-311G**

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	0.368
2	C	-0.843
3	H	0.158
4	H	0.158
5	H	0.158

	x	y	z	Total
	0.000	0.000	0.926	0.926
CHELPG
AIM
ESP

	x	y	z
x	2.593	0.000	0.000
y	0.000	2.593	-0.001
z	0.000	-0.001	8.995

<r²>	49.933
(<r²>)^1/2	7.066

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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