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	hartrees
Energy at 0K	-1856.719875
Energy at 298.15K	-1856.725253
Nuclear repulsion energy	163.370071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3142	2845	0.00
2	A₁'	1336	1209	0.00
3	A₁'	512	463	0.00
4	A₁"	22	20	0.00
5	A₂"	3140	2843	56.88
6	A₂"	1331	1206	2.86
7	A₂"	603	546	44.69
8	E'	3208	2905	60.23
8	E'	3208	2905	60.23
9	E'	1575	1426	0.08
9	E'	1575	1426	0.08
10	E'	733	664	94.05
10	E'	733	664	94.05
11	E'	109	99	7.75
11	E'	109	99	7.75
12	E"	3208	2905	0.00
12	E"	3208	2905	0.00
13	E"	1571	1422	0.00
13	E"	1571	1422	0.00
14	E"	637	577	0.00
14	E"	637	577	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.965
C3	0.000	0.000	-1.965
H4	0.000	1.011	2.368
H5	0.000	1.011	-2.368
H6	-0.875	-0.505	2.368
H7	0.875	-0.505	2.368
H8	0.875	-0.505	-2.368
H9	-0.875	-0.505	-2.368

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9647	1.9647	2.5747	2.5747	2.5747	2.5747	2.5747	2.5747
C2	1.9647		3.9294	1.0883	4.4491	1.0883	1.0883	4.4491	4.4491
C3	1.9647	3.9294		4.4491	1.0883	4.4491	4.4491	1.0883	1.0883
H4	2.5747	1.0883	4.4491		4.7360	1.7508	1.7508	5.0492	5.0492
H5	2.5747	4.4491	1.0883	4.7360		5.0492	5.0492	1.7508	1.7508
H6	2.5747	1.0883	4.4491	1.7508	5.0492		1.7508	5.0492	4.7360
H7	2.5747	1.0883	4.4491	1.7508	5.0492	1.7508		4.7360	5.0492
H8	2.5747	4.4491	1.0883	5.0492	1.7508	5.0492	4.7360		1.7508
H9	2.5747	4.4491	1.0883	5.0492	1.7508	4.7360	5.0492	1.7508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	111.749	Zn1	C2	H6	111.749
Zn1	C2	H7	111.749	Zn1	C3	H5	111.749
Zn1	C3	H8	111.749	Zn1	C3	H9	111.749
C2	Zn1	C3	180.000	H4	C2	H6	107.100
H4	C2	H7	107.100	H5	C3	H8	107.100
H5	C3	H9	107.100	H6	C2	H7	107.100
H8	C3	H9	107.100

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

using model chemistry: HF/6-31G(2df,p)

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	0.838
2	C	-0.820
3	C	-0.820
4	H	0.134
5	H	0.134
6	H	0.134
7	H	0.134
8	H	0.134
9	H	0.134

<r²>	104.917
(<r²>)^1/2	10.243

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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