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	hartrees
Energy at 0K
Energy at 298.15K	0.013027
HF Energy	0.013027
Nuclear repulsion energy	35.560998

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.937
C3	0.000	0.000	-1.937
H4	0.000	1.033	2.301
H5	0.000	1.033	-2.301
H6	-0.895	-0.517	2.301
H7	0.895	-0.517	2.301
H8	0.895	-0.517	-2.301
H9	-0.895	-0.517	-2.301

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9373	1.9373	2.5221	2.5221	2.5221	2.5221	2.5221	2.5221
C2	1.9373		3.8746	1.0954	4.3621	1.0954	1.0954	4.3621	4.3621
C3	1.9373	3.8746		4.3621	1.0954	4.3621	4.3621	1.0954	1.0954
H4	2.5221	1.0954	4.3621		4.6014	1.7898	1.7898	4.9372	4.9372
H5	2.5221	4.3621	1.0954	4.6014		4.9372	4.9372	1.7898	1.7898
H6	2.5221	1.0954	4.3621	1.7898	4.9372		1.7898	4.9372	4.6014
H7	2.5221	1.0954	4.3621	1.7898	4.9372	1.7898		4.6014	4.9372
H8	2.5221	4.3621	1.0954	4.9372	1.7898	4.9372	4.6014		1.7898
H9	2.5221	4.3621	1.0954	4.9372	1.7898	4.6014	4.9372	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	109.376	Zn1	C2	H6	109.376
Zn1	C2	H7	109.376	Zn1	C3	H5	109.376
Zn1	C3	H8	109.376	Zn1	C3	H9	109.376
C2	Zn1	C3	180.000	H4	C2	H6	109.567
H4	C2	H7	109.567	H5	C3	H8	109.567
H5	C3	H9	109.567	H6	C2	H7	109.567
H8	C3	H9	109.567

	hartrees
Energy at 0K
Energy at 298.15K	0.013028
HF Energy	0.013028
Nuclear repulsion energy	35.562533

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

using model chemistry: PM3

States and conformations

Conformer 1 (D3H)

Conformer 2 (D3D)

Conformer 3 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9369	1.9369	2.5218	2.5218	2.5218	2.5218	2.5218	2.5218
C2	1.9369		3.8738	1.0954	4.3615	1.0954	1.0954	4.3615	4.3615
C3	1.9369	3.8738		4.3615	1.0954	4.3615	4.3615	1.0954	1.0954
H4	2.5218	1.0954	4.3615		4.6008	1.7898	1.7898	4.9374	4.9359
H5	2.5218	4.3615	1.0954	4.6008		4.9374	4.9359	1.7898	1.7898
H6	2.5218	1.0954	4.3615	1.7898	4.9374		1.7898	4.9359	4.6008
H7	2.5218	1.0954	4.3615	1.7898	4.9359	1.7898		4.6008	4.9374
H8	2.5218	4.3615	1.0954	4.9374	1.7898	4.9359	4.6008		1.7898
H9	2.5218	4.3615	1.0954	4.9359	1.7898	4.6008	4.9374	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	109.382	Zn1	C2	H6	109.382
Zn1	C2	H7	109.382	Zn1	C3	H5	109.382
Zn1	C3	H8	109.382	Zn1	C3	H9	109.382
C2	Zn1	C3	180.000	H4	C2	H6	109.560
H4	C2	H7	109.560	H5	C3	H8	109.560
H5	C3	H9	109.560	H6	C2	H7	109.560
H8	C3	H9	109.560

	hartrees
Energy at 0K
Energy at 298.15K	0.013019
HF Energy	0.013019
Nuclear repulsion energy	35.562853

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9371	1.9371	2.5218	2.5218	2.5218	2.5218	2.5218	2.5218
C2	1.9371		3.8741	1.0952	4.3617	1.0952	1.0952	4.3617	4.3617
C3	1.9371	3.8741		4.3617	1.0952	4.3617	4.3617	1.0952	1.0952
H4	2.5218	1.0952	4.3617		4.7155	1.7896	1.7896	5.0436	4.7155
H5	2.5218	4.3617	1.0952	4.7155		5.0436	4.7155	1.7896	1.7896
H6	2.5218	1.0952	4.3617	1.7896	5.0436		1.7896	4.7155	4.7155
H7	2.5218	1.0952	4.3617	1.7896	4.7155	1.7896		4.7155	5.0436
H8	2.5218	4.3617	1.0952	5.0436	1.7896	4.7155	4.7155		1.7896
H9	2.5218	4.3617	1.0952	4.7155	1.7896	4.7155	5.0436	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	109.377	Zn1	C2	H6	109.377
Zn1	C2	H7	109.377	Zn1	C3	H5	109.377
Zn1	C3	H8	109.377	Zn1	C3	H9	109.377
C2	Zn1	C3	180.000	H4	C2	H6	109.565
H4	C2	H7	109.565	H5	C3	H8	109.565
H5	C3	H9	109.565	H6	C2	H7	109.565
H8	C3	H9	109.565

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.937
C3	0.000	0.000	-1.937
H4	-0.002	1.033	2.300
H5	0.002	1.033	-2.300
H6	-0.894	-0.518	2.300
H7	0.896	-0.515	2.300
H8	0.894	-0.518	-2.300
H9	-0.896	-0.515	-2.300

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

using model chemistry: PM3

States and conformations

Conformer 1 (D3H)

Conformer 2 (D3D)

Conformer 3 (C2V)

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