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	hartrees
Energy at 0K	-1810.332650
Energy at 298.15K	-1810.335705
HF Energy	-1810.332650
Nuclear repulsion energy	79.376216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3038	2878	7.70
2	A₁	1291	1223	5.23
3	A₁	640	606	10.82
4	E	3114	2950	6.16
4	E	3114	2950	6.31
5	E	1484	1406	10.81
5	E	1484	1406	10.98
6	E	632	598	4.95
6	E	632	598	5.06

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.464
C2	0.000	0.000	-1.416
H3	0.000	1.021	-1.810
H4	0.884	-0.511	-1.810
H5	-0.884	-0.511	-1.810

	Zn1	C2	H3	H4	H5
Zn1		1.8797	2.4931	2.4931	2.4931
C2	1.8797		1.0947	1.0947	1.0947
H3	2.4931	1.0947		1.7686	1.7686
H4	2.4931	1.0947	1.7686		1.7686
H5	2.4931	1.0947	1.7686	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	111.133	Zn1	C2	H4	111.133
Zn1	C2	H5	111.133	H3	C2	H4	107.759
H3	C2	H5	107.759	H4	C2	H5	107.759

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

using model chemistry: M06-2X/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	0.326
2	C	-0.998
3	H	0.224
4	H	0.224
5	H	0.224

	x	y	z	Total
	0.000	0.000	-0.247	0.247
CHELPG
AIM
ESP

	x	y	z
x	6.597	0.000	0.000
y	0.000	6.597	0.005
z	0.000	0.005	7.607

<r²>	45.701
(<r²>)^1/2	6.760

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

using model chemistry: M06-2X/3-21G*

States and conformations

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