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	hartrees
Energy at 0K	-1808.507061
Energy at 298.15K
Nuclear repulsion energy	77.814569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	2870	34.17
2	A₁	1395	1266	10.74
3	A₁	597	541	20.24
4	E	3222	2922	26.85
4	E	3222	2922	26.85
5	E	1609	1459	10.35
5	E	1609	1459	10.35
6	E	655	594	2.00
6	E	655	594	2.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.476
C2	0.000	0.000	-1.452
H3	0.000	1.009	-1.857
H4	0.874	-0.505	-1.857
H5	-0.874	-0.505	-1.857

	Zn1	C2	H3	H4	H5
Zn1		1.9278	2.5417	2.5417	2.5417
C2	1.9278		1.0875	1.0875	1.0875
H3	2.5417	1.0875		1.7482	1.7482
H4	2.5417	1.0875	1.7482		1.7482
H5	2.5417	1.0875	1.7482	1.7482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	111.859	Zn1	C2	H4	111.859
Zn1	C2	H5	111.859	H3	C2	H4	106.982
H3	C2	H5	106.982	H4	C2	H5	106.982

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

using model chemistry: ROHF/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	0.440
2	C	-1.067
3	H	0.209
4	H	0.209
5	H	0.209

	x	y	z	Total
	0.000	0.000	0.226	0.226
CHELPG
AIM
ESP

<r²>	47.606
(<r²>)^1/2	6.900

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

using model chemistry: ROHF/3-21G

States and conformations

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