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	hartrees
Energy at 0K	-1817.435028
Energy at 298.15K	-1817.437960
HF Energy	-1817.435028
Nuclear repulsion energy	74.233905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	2839	55.68
2	A₁	1221	1104	17.10
3	A₁	459	415	7.54
4	E	3221	2913	24.46
4	E	3221	2913	24.46
5	E	1560	1411	2.42
5	E	1560	1411	2.42
6	E	630	570	0.98
6	E	630	570	0.98

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.502
C2	0.000	0.000	-1.550
H3	0.000	1.020	-1.919
H4	0.883	-0.510	-1.919
H5	-0.883	-0.510	-1.919

	Zn1	C2	H3	H4	H5
Zn1		2.0521	2.6266	2.6266	2.6266
C2	2.0521		1.0841	1.0841	1.0841
H3	2.6266	1.0841		1.7660	1.7660
H4	2.6266	1.0841	1.7660		1.7660
H5	2.6266	1.0841	1.7660	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	109.873	Zn1	C2	H4	109.873
Zn1	C2	H5	109.873	H3	C2	H4	109.066
H3	C2	H5	109.066	H4	C2	H5	109.066

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

using model chemistry: HF/daug-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	-0.069
2	C	-1.716
3	H	0.595
4	H	0.595
5	H	0.595

	x	y	z	Total
	0.000	0.000	0.196	0.196
CHELPG
AIM
ESP

<r²>	50.880
(<r²>)^1/2	7.133

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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