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	hartrees
Energy at 0K	-1858.938454
Energy at 298.15K	-1858.943901
Nuclear repulsion energy	166.073900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3036	2908	0.00
2	A₁'	1289	1235	0.00
3	A₁'	531	509	0.00
4	A₁"	33	32	0.00
5	A₂"	3034	2906	32.33
6	A₂"	1286	1232	3.72
7	A₂"	628	601	39.34
8	E'	3101	2971	40.24
8	E'	3101	2971	40.24
9	E'	1482	1419	0.94
9	E'	1482	1419	0.94
10	E'	753	721	79.82
10	E'	753	721	79.82
11	E'	120	115	1.92
11	E'	120	115	1.92
12	E"	3101	2971	0.00
12	E"	3101	2971	0.00
13	E"	1478	1416	0.00
13	E"	1478	1416	0.00
14	E"	643	616	0.00
14	E"	643	616	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.921
C3	0.000	0.000	-1.921
H4	0.000	1.017	2.332
H5	0.000	1.017	-2.332
H6	-0.881	-0.509	2.332
H7	0.881	-0.509	2.332
H8	0.881	-0.509	-2.332
H9	-0.881	-0.509	-2.332

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9207	1.9207	2.5444	2.5444	2.5444	2.5444	2.5444	2.5444
C2	1.9207		3.8414	1.0975	4.3728	1.0975	1.0975	4.3728	4.3728
C3	1.9207	3.8414		4.3728	1.0975	4.3728	4.3728	1.0975	1.0975
H4	2.5444	1.0975	4.3728		4.6643	1.7623	1.7623	4.9861	4.9861
H5	2.5444	4.3728	1.0975	4.6643		4.9861	4.9861	1.7623	1.7623
H6	2.5444	1.0975	4.3728	1.7623	4.9861		1.7623	4.9861	4.6643
H7	2.5444	1.0975	4.3728	1.7623	4.9861	1.7623		4.6643	4.9861
H8	2.5444	4.3728	1.0975	4.9861	1.7623	4.9861	4.6643		1.7623
H9	2.5444	4.3728	1.0975	4.9861	1.7623	4.6643	4.9861	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	112.019	Zn1	C2	H6	112.019
Zn1	C2	H7	112.019	Zn1	C3	H5	112.019
Zn1	C3	H8	112.019	Zn1	C3	H9	112.019
C2	Zn1	C3	180.000	H4	C2	H6	106.807
H4	C2	H7	106.807	H5	C3	H8	106.807
H5	C3	H9	106.807	H6	C2	H7	106.807
H8	C3	H9	106.807

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

using model chemistry: B3LYPultrafine/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	0.551
2	C	-0.756
3	C	-0.756
4	H	0.160
5	H	0.160
6	H	0.160
7	H	0.160
8	H	0.160
9	H	0.160

<r²>	101.547
(<r²>)^1/2	10.077

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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