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	hartrees
Energy at 0K	-1859.285933
Energy at 298.15K
HF Energy	-1859.285933
Nuclear repulsion energy	164.448799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3011	2916	0.00
2	A₁'	1216	1177	0.00
3	A₁'	503	487	0.00
4	A₁"	12i	11i	0.00
5	A₂"	3009	2913	43.78
6	A₂"	1218	1179	0.86
7	A₂"	605	586	51.29
8	E'	3082	2985	37.10
8	E'	3082	2985	37.11
9	E'	1470	1423	0.52
9	E'	1470	1423	0.52
10	E'	712	690	57.31
10	E'	712	690	57.30
11	E'	136	131	2.60
11	E'	136	131	2.60
12	E"	3082	2985	0.00
12	E"	3082	2985	0.00
13	E"	1465	1418	0.00
13	E"	1465	1418	0.00
14	E"	616	597	0.00
14	E"	616	597	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.947
C3	0.000	0.000	-1.947
H4	0.000	1.020	2.343
H5	0.000	1.020	-2.343
H6	-0.883	-0.510	2.343
H7	0.883	-0.510	2.343
H8	0.883	-0.510	-2.343
H9	-0.883	-0.510	-2.343

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9471	1.9471	2.5549	2.5549	2.5549	2.5549	2.5549	2.5549
C2	1.9471		3.8943	1.0936	4.4093	1.0936	1.0936	4.4093	4.4093
C3	1.9471	3.8943		4.4093	1.0936	4.4093	4.4093	1.0936	1.0936
H4	2.5549	1.0936	4.4093		4.6853	1.7660	1.7660	5.0071	5.0071
H5	2.5549	4.4093	1.0936	4.6853		5.0071	5.0071	1.7660	1.7660
H6	2.5549	1.0936	4.4093	1.7660	5.0071		1.7660	5.0071	4.6853
H7	2.5549	1.0936	4.4093	1.7660	5.0071	1.7660		4.6853	5.0071
H8	2.5549	4.4093	1.0936	5.0071	1.7660	5.0071	4.6853		1.7660
H9	2.5549	4.4093	1.0936	5.0071	1.7660	4.6853	5.0071	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	111.201	Zn1	C2	H6	111.201
Zn1	C2	H7	111.201	Zn1	C3	H5	111.201
Zn1	C3	H8	111.201	Zn1	C3	H9	111.201
C2	Zn1	C3	180.000	H4	C2	H6	107.687
H4	C2	H7	107.687	H5	C3	H8	107.687
H5	C3	H9	107.687	H6	C2	H7	107.687
H8	C3	H9	107.687

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

using model chemistry: TPSSh/cc-pVTZ

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	0.633
2	C	-0.521
3	C	-0.521
4	H	0.068
5	H	0.068
6	H	0.068
7	H	0.068
8	H	0.068
9	H	0.068

<r²>	103.485
(<r²>)^1/2	10.173

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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