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	hartrees
Energy at 0K	-1859.011605
Energy at 298.15K	-1859.017094
Nuclear repulsion energy	166.763900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3064	2906	0.00
2	A₁'	1294	1227	0.00
3	A₁'	543	515	0.00
4	A₁"	40	38	0.00
5	A₂"	3062	2904	27.08
6	A₂"	1291	1224	12.07
7	A₂"	642	609	39.18
8	E'	3139	2977	33.41
8	E'	3139	2977	33.42
9	E'	1484	1407	2.09
9	E'	1484	1407	2.09
10	E'	752	713	88.29
10	E'	752	713	88.29
11	E'	123	116	2.55
11	E'	123	116	2.55
12	E"	3139	2977	0.00
12	E"	3139	2977	0.00
13	E"	1481	1404	0.00
13	E"	1481	1404	0.00
14	E"	645	612	0.00
14	E"	645	612	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	1.015	2.324
H5	0.000	1.015	-2.324
H6	-0.879	-0.508	2.324
H7	0.879	-0.508	2.324
H8	0.879	-0.508	-2.324
H9	-0.879	-0.508	-2.324

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9111	1.9111	2.5363	2.5363	2.5363	2.5363	2.5363	2.5363
C2	1.9111		3.8221	1.0961	4.3553	1.0961	1.0961	4.3553	4.3553
C3	1.9111	3.8221		4.3553	1.0961	4.3553	4.3553	1.0961	1.0961
H4	2.5363	1.0961	4.3553		4.6486	1.7585	1.7585	4.9700	4.9700
H5	2.5363	4.3553	1.0961	4.6486		4.9700	4.9700	1.7585	1.7585
H6	2.5363	1.0961	4.3553	1.7585	4.9700		1.7585	4.9700	4.6486
H7	2.5363	1.0961	4.3553	1.7585	4.9700	1.7585		4.6486	4.9700
H8	2.5363	4.3553	1.0961	4.9700	1.7585	4.9700	4.6486		1.7585
H9	2.5363	4.3553	1.0961	4.9700	1.7585	4.6486	4.9700	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	112.147	Zn1	C2	H6	112.147
Zn1	C2	H7	112.147	Zn1	C3	H5	112.147
Zn1	C3	H8	112.147	Zn1	C3	H9	112.147
C2	Zn1	C3	180.000	H4	C2	H6	106.667
H4	C2	H7	106.667	H5	C3	H8	106.667
H5	C3	H9	106.667	H6	C2	H7	106.667
H8	C3	H9	106.667

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	0.621
2	C	-0.866
3	C	-0.866
4	H	0.185
5	H	0.185
6	H	0.185
7	H	0.185
8	H	0.185
9	H	0.185

<r²>	100.745
(<r²>)^1/2	10.037

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)