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	hartrees
Energy at 0K	-1818.921783
Energy at 298.15K
Nuclear repulsion energy	77.120186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	2920	15.21
2	A₁	1212	1159	3.42
3	A₁	528	505	11.03
4	E	3143	3007	11.36
4	E	3143	3007	11.36
5	E	1457	1394	5.39
5	E	1457	1394	5.39
6	E	623	596	2.57
6	E	623	596	2.56

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.480
C2	0.000	0.000	-1.469
H3	0.000	1.025	-1.858
H4	0.888	-0.513	-1.858
H5	-0.888	-0.513	-1.858

	Zn1	C2	H3	H4	H5
Zn1		1.9488	2.5522	2.5522	2.5522
C2	1.9488		1.0963	1.0963	1.0963
H3	2.5522	1.0963		1.7757	1.7757
H4	2.5522	1.0963	1.7757		1.7757
H5	2.5522	1.0963	1.7757	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	110.753	Zn1	C2	H4	110.753
Zn1	C2	H5	110.753	H3	C2	H4	108.160
H3	C2	H5	108.160	H4	C2	H5	108.160

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

using model chemistry: B3PW91/6-31G*

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	0.283
2	C	-0.838
3	H	0.185
4	H	0.185
5	H	0.185

	x	y	z	Total
	0.000	0.000	-0.343	0.343
CHELPG
AIM
ESP

	x	y	z
x	7.073	0.000	0.000
y	0.000	7.076	-0.001
z	0.000	-0.001	8.531

<r²>	47.497
(<r²>)^1/2	6.892

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

using model chemistry: B3PW91/6-31G*

States and conformations

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