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	hartrees
Energy at 0K	-1858.948328
Energy at 298.15K	-1858.953788
Nuclear repulsion energy	166.137255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3035	2916	0.00
2	A₁'	1276	1226	0.00
3	A₁'	533	512	0.00
4	A₁"	37	36	0.00
5	A₂"	3033	2914	30.95
6	A₂"	1272	1222	2.52
7	A₂"	630	605	41.24
8	E'	3105	2983	38.13
8	E'	3105	2983	38.13
9	E'	1462	1405	0.50
9	E'	1462	1405	0.50
10	E'	751	722	77.70
10	E'	751	722	77.70
11	E'	119	114	1.92
11	E'	119	114	1.92
12	E"	3105	2983	0.00
12	E"	3105	2983	0.00
13	E"	1459	1401	0.00
13	E"	1459	1401	0.00
14	E"	642	617	0.00
14	E"	642	617	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.920
C3	0.000	0.000	-1.920
H4	0.000	1.016	2.332
H5	0.000	1.016	-2.332
H6	-0.880	-0.508	2.332
H7	0.880	-0.508	2.332
H8	0.880	-0.508	-2.332
H9	-0.880	-0.508	-2.332

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9202	1.9202	2.5436	2.5436	2.5436	2.5436	2.5436	2.5436
C2	1.9202		3.8403	1.0963	4.3717	1.0963	1.0963	4.3717	4.3717
C3	1.9202	3.8403		4.3717	1.0963	4.3717	4.3717	1.0963	1.0963
H4	2.5436	1.0963	4.3717		4.6637	1.7599	1.7599	4.9847	4.9847
H5	2.5436	4.3717	1.0963	4.6637		4.9847	4.9847	1.7599	1.7599
H6	2.5436	1.0963	4.3717	1.7599	4.9847		1.7599	4.9847	4.6637
H7	2.5436	1.0963	4.3717	1.7599	4.9847	1.7599		4.6637	4.9847
H8	2.5436	4.3717	1.0963	4.9847	1.7599	4.9847	4.6637		1.7599
H9	2.5436	4.3717	1.0963	4.9847	1.7599	4.6637	4.9847	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	112.056	Zn1	C2	H6	112.056
Zn1	C2	H7	112.056	Zn1	C3	H5	112.056
Zn1	C3	H8	112.056	Zn1	C3	H9	112.056
C2	Zn1	C3	180.000	H4	C2	H6	106.767
H4	C2	H7	106.767	H5	C3	H8	106.767
H5	C3	H9	106.767	H6	C2	H7	106.767
H8	C3	H9	106.767

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

using model chemistry: B3LYP/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	0.547
2	C	-0.618
3	C	-0.618
4	H	0.115
5	H	0.115
6	H	0.115
7	H	0.115
8	H	0.115
9	H	0.115

<r²>	101.487
(<r²>)^1/2	10.074

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

using model chemistry: B3LYP/6-31G**

States and conformations

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