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	hartrees
Energy at 0K	-1820.108465
Energy at 298.15K	-1820.111167
HF Energy	-1820.108465
Nuclear repulsion energy	72.366361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2990	2947	10.82
2	A₁	1035	1020	7.39
3	A₁	328	323	3.05
4	E	3109	3064	10.89
4	E	3109	3064	10.88
5	E	1406	1386	3.45
5	E	1406	1386	3.44
6	E	568	560	5.30
6	E	568	560	5.30

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.515
C2	0.000	0.000	-1.609
H3	0.000	1.045	-1.929
H4	0.905	-0.523	-1.929
H5	-0.905	-0.523	-1.929

	Zn1	C2	H3	H4	H5
Zn1		2.1234	2.6578	2.6578	2.6578
C2	2.1234		1.0933	1.0933	1.0933
H3	2.6578	1.0933		1.8106	1.8106
H4	2.6578	1.0933	1.8106		1.8106
H5	2.6578	1.0933	1.8106	1.8106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	107.031	Zn1	C2	H4	107.031
Zn1	C2	H5	107.031	H3	C2	H4	111.797
H3	C2	H5	111.797	H4	C2	H5	111.797

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

using model chemistry: B97D3/TZVP

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	0.121
2	C	-0.488
3	H	0.122
4	H	0.122
5	H	0.122

	x	y	z	Total
	0.000	0.000	-0.063	0.063
CHELPG
AIM
ESP

	x	y	z
x	4.828	0.000	0.000
y	0.000	4.827	-0.000
z	0.000	-0.000	8.724

<r²>	51.990
(<r²>)^1/2	7.210

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

using model chemistry: B97D3/TZVP

States and conformations

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