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	hartrees
Energy at 0K	-1818.520467
Energy at 298.15K	-1818.523423
HF Energy	-1818.394398
Nuclear repulsion energy	76.628106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2920	14.74
2	A₁	1225	1163	8.95
3	A₁	511	485	8.24
4	E	3165	3005	12.57
4	E	3165	3005	12.58
5	E	1481	1406	4.15
5	E	1481	1406	4.15
6	E	626	595	2.05
6	E	626	595	2.04

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.483
C2	0.000	0.000	-1.483
H3	0.000	1.025	-1.866
H4	0.887	-0.512	-1.866
H5	-0.887	-0.512	-1.866

	Zn1	C2	H3	H4	H5
Zn1		1.9663	2.5629	2.5629	2.5629
C2	1.9663		1.0938	1.0938	1.0938
H3	2.5629	1.0938		1.7746	1.7746
H4	2.5629	1.0938	1.7746		1.7746
H5	2.5629	1.0938	1.7746	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	110.495	Zn1	C2	H4	110.495
Zn1	C2	H5	110.495	H3	C2	H4	108.429
H3	C2	H5	108.429	H4	C2	H5	108.429

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

using model chemistry: B2PLYP/6-31G*

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	0.298
2	C	-0.800
3	H	0.168
4	H	0.168
5	H	0.168

	x	y	z
x	6.983	0.000	0.000
y	0.000	6.985	-0.000
z	0.000	-0.000	8.569

<r²>	48.127
(<r²>)^1/2	6.937

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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