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	hartrees
Energy at 0K	-1859.021025
Energy at 298.15K	-1859.026519
Nuclear repulsion energy	166.790866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3062	2914	0.00
2	A₁'	1278	1216	0.00
3	A₁'	543	517	0.00
4	A₁"	41	39	0.00
5	A₂"	3060	2912	25.83
6	A₂"	1274	1213	9.62
7	A₂"	642	611	41.11
8	E'	3142	2990	31.51
8	E'	3142	2990	31.52
9	E'	1462	1391	1.34
9	E'	1462	1391	1.34
10	E'	750	714	85.81
10	E'	750	714	85.82
11	E'	122	116	2.55
11	E'	122	116	2.55
12	E"	3142	2990	0.00
12	E"	3142	2990	0.00
13	E"	1459	1388	0.00
13	E"	1459	1388	0.00
14	E"	644	613	0.00
14	E"	644	613	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.911
C3	0.000	0.000	-1.911
H4	0.000	1.014	2.324
H5	0.000	1.014	-2.324
H6	-0.878	-0.507	2.324
H7	0.878	-0.507	2.324
H8	0.878	-0.507	-2.324
H9	-0.878	-0.507	-2.324

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9111	1.9111	2.5359	2.5359	2.5359	2.5359	2.5359	2.5359
C2	1.9111		3.8221	1.0950	4.3551	1.0950	1.0950	4.3551	4.3551
C3	1.9111	3.8221		4.3551	1.0950	4.3551	4.3551	1.0950	1.0950
H4	2.5359	1.0950	4.3551		4.6488	1.7562	1.7562	4.9694	4.9694
H5	2.5359	4.3551	1.0950	4.6488		4.9694	4.9694	1.7562	1.7562
H6	2.5359	1.0950	4.3551	1.7562	4.9694		1.7562	4.9694	4.6488
H7	2.5359	1.0950	4.3551	1.7562	4.9694	1.7562		4.6488	4.9694
H8	2.5359	4.3551	1.0950	4.9694	1.7562	4.9694	4.6488		1.7562
H9	2.5359	4.3551	1.0950	4.9694	1.7562	4.6488	4.9694	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	112.177	Zn1	C2	H6	112.177
Zn1	C2	H7	112.177	Zn1	C3	H5	112.177
Zn1	C3	H8	112.177	Zn1	C3	H9	112.177
C2	Zn1	C3	180.000	H4	C2	H6	106.635
H4	C2	H7	106.635	H5	C3	H8	106.635
H5	C3	H9	106.635	H6	C2	H7	106.635
H8	C3	H9	106.635

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

using model chemistry: mPW1PW91/6-31G**

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	0.616
2	C	-0.731
3	C	-0.731
4	H	0.141
5	H	0.141
6	H	0.141
7	H	0.141
8	H	0.141
9	H	0.141

<r²>	100.721
(<r²>)^1/2	10.036

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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