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	hartrees
Energy at 0K	-1816.514182
Energy at 298.15K
Nuclear repulsion energy	76.698516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2988	2943	5.98
2	A₁	1053	1037	0.43
3	A₁	480	473	9.62
4	E	3113	3066	1.53
4	E	3113	3066	1.53
5	E	1369	1349	9.25
5	E	1369	1349	9.25
6	E	588	579	0.34
6	E	588	579	0.33

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.481
C2	0.000	0.000	-1.486
H3	0.000	1.045	-1.834
H4	0.905	-0.523	-1.834
H5	-0.905	-0.523	-1.834

	Zn1	C2	H3	H4	H5
Zn1		1.9672	2.5395	2.5395	2.5395
C2	1.9672		1.1016	1.1016	1.1016
H3	2.5395	1.1016		1.8108	1.8108
H4	2.5395	1.1016	1.8108		1.8108
H5	2.5395	1.1016	1.8108	1.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	108.369	Zn1	C2	H4	108.369
Zn1	C2	H5	108.369	H3	C2	H4	110.551
H3	C2	H5	110.551	H4	C2	H5	110.551

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

using model chemistry: LSDA/6-31+G**

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	0.022
2	C	-0.599
3	H	0.192
4	H	0.192
5	H	0.192

	x	y	z	Total
	0.000	0.000	-0.515	0.515
CHELPG
AIM
ESP

	x	y	z
x	6.964	0.000	0.000
y	0.000	6.966	-0.001
z	0.000	-0.001	10.461

<r²>	47.979
(<r²>)^1/2	6.927

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

using model chemistry: LSDA/6-31+G**

States and conformations

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