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	hartrees
Energy at 0K	-1858.921726
Energy at 298.15K	-1858.926982
Nuclear repulsion energy	166.437354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	2949	2932	0.00
2	A₁'	1208	1201	0.00
3	A₁'	532	529	0.00
4	A₁"	31	31	0.00
5	A₂"	2946	2930	28.04
6	A₂"	1207	1200	0.04
7	A₂"	601	598	42.60
8	E'	3013	2996	35.07
8	E'	3013	2996	35.07
9	E'	1422	1414	0.08
9	E'	1422	1414	0.08
10	E'	716	712	59.82
10	E'	716	712	59.82
11	E'	91	91	0.99
11	E'	91	91	0.99
12	E"	3013	2996	0.00
12	E"	3013	2996	0.00
13	E"	1416	1408	0.00
13	E"	1416	1408	0.00
14	E"	604	600	0.00
14	E"	604	600	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.914
C3	0.000	0.000	-1.914
H4	0.000	1.024	2.323
H5	0.000	1.024	-2.323
H6	-0.887	-0.512	2.323
H7	0.887	-0.512	2.323
H8	0.887	-0.512	-2.323
H9	-0.887	-0.512	-2.323

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9139	1.9139	2.5392	2.5392	2.5392	2.5392	2.5392	2.5392
C2	1.9139		3.8277	1.1031	4.3594	1.1031	1.1031	4.3594	4.3594
C3	1.9139	3.8277		4.3594	1.1031	4.3594	4.3594	1.1031	1.1031
H4	2.5392	1.1031	4.3594		4.6469	1.7740	1.7740	4.9740	4.9740
H5	2.5392	4.3594	1.1031	4.6469		4.9740	4.9740	1.7740	1.7740
H6	2.5392	1.1031	4.3594	1.7740	4.9740		1.7740	4.9740	4.6469
H7	2.5392	1.1031	4.3594	1.7740	4.9740	1.7740		4.6469	4.9740
H8	2.5392	4.3594	1.1031	4.9740	1.7740	4.9740	4.6469		1.7740
H9	2.5392	4.3594	1.1031	4.9740	1.7740	4.6469	4.9740	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	111.796	Zn1	C2	H6	111.796
Zn1	C2	H7	111.796	Zn1	C3	H5	111.796
Zn1	C3	H8	111.796	Zn1	C3	H9	111.796
C2	Zn1	C3	180.000	H4	C2	H6	107.049
H4	C2	H7	107.049	H5	C3	H8	107.049
H5	C3	H9	107.049	H6	C2	H7	107.049
H8	C3	H9	107.049

All results from a given calculation for Zn(CH₃)₂ (dimethyl zinc)

using model chemistry: BLYP/6-31G(2df,p)

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	0.544
2	C	-0.614
3	C	-0.614
4	H	0.114
5	H	0.114
6	H	0.114
7	H	0.114
8	H	0.114
9	H	0.114

<r²>	101.057
(<r²>)^1/2	10.053

All results from a given calculation for Zn(CH3)2 (dimethyl zinc)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for Zn(CH₃)₂ (dimethyl zinc)