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	hartrees
Energy at 0K	-1820.163285
Energy at 298.15K	-1820.166017
HF Energy	-1820.163285
Nuclear repulsion energy	72.887730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2987	2941	13.57
2	A₁	1031	1016	9.68
3	A₁	343	338	4.48
4	E	3103	3055	8.91
4	E	3103	3055	8.91
5	E	1404	1382	2.04
5	E	1404	1382	2.04
6	E	577	568	0.67
6	E	577	568	0.67

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.510
C2	0.000	0.000	-1.594
H3	0.000	1.044	-1.916
H4	0.904	-0.522	-1.916
H5	-0.904	-0.522	-1.916

	Zn1	C2	H3	H4	H5
Zn1		2.1046	2.6413	2.6413	2.6413
C2	2.1046		1.0923	1.0923	1.0923
H3	2.6413	1.0923		1.8081	1.8081
H4	2.6413	1.0923	1.8081		1.8081
H5	2.6413	1.0923	1.8081	1.8081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	107.124	Zn1	C2	H4	107.124
Zn1	C2	H5	107.124	H3	C2	H4	111.713
H3	C2	H5	111.713	H4	C2	H5	111.713

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.134
2	C	-0.826
3	H	0.231
4	H	0.231
5	H	0.231

	x	y	z	Total
	0.000	0.000	-0.395	0.395
CHELPG
AIM
ESP

	x	y	z
x	7.773	0.000	0.000
y	0.000	7.773	-0.000
z	0.000	-0.000	11.589

<r²>	51.686
(<r²>)^1/2	7.189

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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