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	hartrees
Energy at 0K	-1807.893408
Energy at 298.15K
Nuclear repulsion energy	82.743090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2987	2933	4.91
2	A₁	1298	1275	7.53
3	A₁	712	699	13.56
4	E	3066	3011	4.49
4	E	3066	3011	4.49
5	E	1408	1383	17.19
5	E	1408	1383	17.18
6	E	667	655	3.19
6	E	667	655	3.18

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.442
C2	0.000	0.000	-1.336
H3	0.000	1.024	-1.751
H4	0.887	-0.512	-1.751
H5	-0.887	-0.512	-1.751

	Zn1	C2	H3	H4	H5
Zn1		1.7789	2.4203	2.4203	2.4203
C2	1.7789		1.1045	1.1045	1.1045
H3	2.4203	1.1045		1.7734	1.7734
H4	2.4203	1.1045	1.7734		1.7734
H5	2.4203	1.1045	1.7734	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	112.026	Zn1	C2	H4	112.026
Zn1	C2	H5	112.026	H3	C2	H4	106.800
H3	C2	H5	106.800	H4	C2	H5	106.800

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

using model chemistry: LSDA/3-21G*

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	-1.058
3	H	0.253
4	H	0.253
5	H	0.253

	x	y	z	Total
	0.000	0.000	-0.761	0.761
CHELPG
AIM
ESP

	x	y	z
x	7.084	0.000	0.000
y	0.000	7.087	-0.001
z	0.000	-0.001	7.866

<r²>	43.275
(<r²>)^1/2	6.578

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

using model chemistry: LSDA/3-21G*

States and conformations

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