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	hartrees
Energy at 0K	-1858.882259
Energy at 298.15K	-1858.887740
Nuclear repulsion energy	166.730817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3045	2918	0.00
2	A₁'	1272	1219	0.00
3	A₁'	542	519	0.00
4	A₁"	39	38	0.00
5	A₂"	3043	2916	27.13
6	A₂"	1268	1215	8.02
7	A₂"	639	613	41.31
8	E'	3123	2993	33.11
8	E'	3123	2993	33.11
9	E'	1454	1394	1.18
9	E'	1454	1394	1.18
10	E'	749	718	82.83
10	E'	749	718	82.83
11	E'	121	116	2.29
11	E'	121	116	2.29
12	E"	3123	2993	0.00
12	E"	3123	2993	0.00
13	E"	1451	1391	0.00
13	E"	1451	1391	0.00
14	E"	643	617	0.00
14	E"	643	617	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	2.325
H5	0.000	1.015	-2.325
H6	-0.879	-0.508	2.325
H7	0.879	-0.508	2.325
H8	0.879	-0.508	-2.325
H9	-0.879	-0.508	-2.325

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9113	1.9113	2.5372	2.5372	2.5372	2.5372	2.5372	2.5372
C2	1.9113		3.8226	1.0965	4.3564	1.0965	1.0965	4.3564	4.3564
C3	1.9113	3.8226		4.3564	1.0965	4.3564	4.3564	1.0965	1.0965
H4	2.5372	1.0965	4.3564		4.6503	1.7588	1.7588	4.9717	4.9717
H5	2.5372	4.3564	1.0965	4.6503		4.9717	4.9717	1.7588	1.7588
H6	2.5372	1.0965	4.3564	1.7588	4.9717		1.7588	4.9717	4.6503
H7	2.5372	1.0965	4.3564	1.7588	4.9717	1.7588		4.6503	4.9717
H8	2.5372	4.3564	1.0965	4.9717	1.7588	4.9717	4.6503		1.7588
H9	2.5372	4.3564	1.0965	4.9717	1.7588	4.6503	4.9717	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	112.174	Zn1	C2	H6	112.174
Zn1	C2	H7	112.174	Zn1	C3	H5	112.174
Zn1	C3	H8	112.174	Zn1	C3	H9	112.174
C2	Zn1	C3	180.000	H4	C2	H6	106.638
H4	C2	H7	106.638	H5	C3	H8	106.638
H5	C3	H9	106.638	H6	C2	H7	106.638
H8	C3	H9	106.638

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

using model chemistry: B3PW91/6-31G**

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	0.601
2	C	-0.713
3	C	-0.713
4	H	0.137
5	H	0.137
6	H	0.137
7	H	0.137
8	H	0.137
9	H	0.137

<r²>	100.762
(<r²>)^1/2	10.038

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

using model chemistry: B3PW91/6-31G**

States and conformations

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