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	hartrees
Energy at 0K	-1850.248274
Energy at 298.15K
Nuclear repulsion energy	169.318549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3060	2906	0.00
2	A₁'	1355	1286	0.00
3	A₁'	579	550	0.00
4	A₁"	43	41	0.00
5	A₂"	3058	2904	21.38
6	A₂"	1345	1277	46.12
7	A₂"	626	594	29.20
8	E'	3125	2968	30.04
8	E'	3125	2968	30.03
9	E'	1512	1436	7.13
9	E'	1512	1436	7.14
10	E'	796	756	104.06
10	E'	796	756	104.06
11	E'	105i	100i	3.14
11	E'	105i	100i	3.14
12	E"	3126	2968	0.00
12	E"	3126	2968	0.00
13	E"	1509	1433	0.00
13	E"	1509	1433	0.00
14	E"	679	645	0.00
14	E"	679	645	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.875
C3	0.000	0.000	-1.875
H4	0.000	1.015	2.292
H5	0.000	1.015	-2.292
H6	-0.879	-0.507	2.292
H7	0.879	-0.507	2.292
H8	0.879	-0.507	-2.292
H9	-0.879	-0.507	-2.292

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.8745	1.8745	2.5065	2.5065	2.5065	2.5065	2.5065	2.5065
C2	1.8745		3.7491	1.0971	4.2883	1.0971	1.0971	4.2883	4.2883
C3	1.8745	3.7491		4.2883	1.0971	4.2883	4.2883	1.0971	1.0971
H4	2.5065	1.0971	4.2883		4.5840	1.7572	1.7572	4.9093	4.9093
H5	2.5065	4.2883	1.0971	4.5840		4.9093	4.9093	1.7572	1.7572
H6	2.5065	1.0971	4.2883	1.7572	4.9093		1.7572	4.9093	4.5840
H7	2.5065	1.0971	4.2883	1.7572	4.9093	1.7572		4.5840	4.9093
H8	2.5065	4.2883	1.0971	4.9093	1.7572	4.9093	4.5840		1.7572
H9	2.5065	4.2883	1.0971	4.9093	1.7572	4.5840	4.9093	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	112.367	Zn1	C2	H6	112.367
Zn1	C2	H7	112.367	Zn1	C3	H5	112.367
Zn1	C3	H8	112.367	Zn1	C3	H9	112.367
C2	Zn1	C3	180.000	H4	C2	H6	106.426
H4	C2	H7	106.426	H5	C3	H8	106.426
H5	C3	H9	106.426	H6	C2	H7	106.426
H8	C3	H9	106.426

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

using model chemistry: mPW1PW91/3-21G*

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	0.811
2	C	-1.112
3	C	-1.112
4	H	0.236
5	H	0.236
6	H	0.236
7	H	0.236
8	H	0.236
9	H	0.236

<r²>	98.467
(<r²>)^1/2	9.923

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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