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	hartrees
Energy at 0K	-1818.935993
Energy at 298.15K
Nuclear repulsion energy	77.913951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3036	2918	11.45
2	A₁	1166	1121	3.49
3	A₁	552	531	12.79
4	E	3133	3013	8.00
4	E	3133	3013	8.00
5	E	1432	1377	4.10
5	E	1432	1377	4.10
6	E	597	574	1.31
6	E	597	574	1.30

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.474
C2	0.000	0.000	-1.452
H3	0.000	1.026	-1.835
H4	0.888	-0.513	-1.835
H5	-0.888	-0.513	-1.835

	Zn1	C2	H3	H4	H5
Zn1		1.9253	2.5266	2.5266	2.5266
C2	1.9253		1.0951	1.0951	1.0951
H3	2.5266	1.0951		1.7765	1.7765
H4	2.5266	1.0951	1.7765		1.7765
H5	2.5266	1.0951	1.7765	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	110.514	Zn1	C2	H4	110.514
Zn1	C2	H5	110.514	H3	C2	H4	108.409
H3	C2	H5	108.409	H4	C2	H5	108.409

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

using model chemistry: B3PW91/6-31G(2df,p)

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	0.323
2	C	-0.790
3	H	0.156
4	H	0.156
5	H	0.156

	x	y	z	Total
	0.000	0.000	-0.456	0.456
CHELPG
AIM
ESP

	x	y	z
x	7.133	0.000	0.000
y	0.000	7.136	-0.001
z	0.000	-0.001	8.562

<r²>	46.754
(<r²>)^1/2	6.838

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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