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	hartrees
Energy at 0K	-1858.473305
Energy at 298.15K	-1858.478826
Nuclear repulsion energy	166.478344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	2974	2933	0.00
2	A₁'	1277	1260	0.00
3	A₁'	536	528	0.00
4	A₁"	40	39	0.00
5	A₂"	2972	2931	34.48
6	A₂"	1276	1259	20.47
7	A₂"	631	623	34.71
8	E'	3059	3017	37.75
8	E'	3059	3017	37.75
9	E'	1448	1428	3.39
9	E'	1448	1428	3.39
10	E'	777	767	89.27
10	E'	777	767	89.26
11	E'	122	120	1.05
11	E'	122	120	1.04
12	E"	3060	3017	0.00
12	E"	3060	3017	0.00
13	E"	1444	1424	0.00
13	E"	1444	1424	0.00
14	E"	665	656	0.00
14	E"	665	656	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.912
C3	0.000	0.000	-1.912
H4	0.000	1.027	2.322
H5	0.000	1.027	-2.322
H6	-0.889	-0.513	2.322
H7	0.889	-0.513	2.322
H8	0.889	-0.513	-2.322
H9	-0.889	-0.513	-2.322

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9124	1.9124	2.5393	2.5393	2.5393	2.5393	2.5393	2.5393
C2	1.9124		3.8247	1.1055	4.3575	1.1055	1.1055	4.3575	4.3575
C3	1.9124	3.8247		4.3575	1.1055	4.3575	4.3575	1.1055	1.1055
H4	2.5393	1.1055	4.3575		4.6450	1.7782	1.7782	4.9737	4.9737
H5	2.5393	4.3575	1.1055	4.6450		4.9737	4.9737	1.7782	1.7782
H6	2.5393	1.1055	4.3575	1.7782	4.9737		1.7782	4.9737	4.6450
H7	2.5393	1.1055	4.3575	1.7782	4.9737	1.7782		4.6450	4.9737
H8	2.5393	4.3575	1.1055	4.9737	1.7782	4.9737	4.6450		1.7782
H9	2.5393	4.3575	1.1055	4.9737	1.7782	4.6450	4.9737	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	111.776	Zn1	C2	H6	111.776
Zn1	C2	H7	111.776	Zn1	C3	H5	111.776
Zn1	C3	H8	111.776	Zn1	C3	H9	111.776
C2	Zn1	C3	180.000	H4	C2	H6	107.071
H4	C2	H7	107.071	H5	C3	H8	107.071
H5	C3	H9	107.071	H6	C2	H7	107.071
H8	C3	H9	107.071

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

using model chemistry: PBEPBE/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	0.549
2	C	-0.776
3	C	-0.776
4	H	0.167
5	H	0.167
6	H	0.167
7	H	0.167
8	H	0.167
9	H	0.167

<r²>	100.953
(<r²>)^1/2	10.048

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

using model chemistry: PBEPBE/6-31G

States and conformations

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