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	hartrees
Energy at 0K	-1818.984440
Energy at 298.15K
Nuclear repulsion energy	77.498312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2954	2938	10.06
2	A₁	1133	1127	10.11
3	A₁	525	522	9.12
4	E	3043	3026	9.77
4	E	3043	3026	9.77
5	E	1400	1392	2.57
5	E	1400	1392	2.57
6	E	583	579	0.75
6	E	583	579	0.74

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.476
C2	0.000	0.000	-1.461
H3	0.000	1.035	-1.837
H4	0.896	-0.517	-1.837
H5	-0.896	-0.517	-1.837

	Zn1	C2	H3	H4	H5
Zn1		1.9372	2.5344	2.5344	2.5344
C2	1.9372		1.1012	1.1012	1.1012
H3	2.5344	1.1012		1.7926	1.7926
H4	2.5344	1.1012	1.7926		1.7926
H5	2.5344	1.1012	1.7926	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	109.981	Zn1	C2	H4	109.981
Zn1	C2	H5	109.981	H3	C2	H4	108.957
H3	C2	H5	108.957	H4	C2	H5	108.957

All results from a given calculation for ZnCH₃ (Zinc monomethyl)

using model chemistry: BLYP/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	0.256
2	C	-0.630
3	H	0.125
4	H	0.125
5	H	0.125

	x	y	z	Total
	0.000	0.000	-0.715	0.715
CHELPG
AIM
ESP

	x	y	z
x	7.111	0.000	0.000
y	0.000	7.114	-0.001
z	0.000	-0.001	9.003

<r²>	47.164
(<r²>)^1/2	6.868

All results from a given calculation for ZnCH3 (Zinc monomethyl)

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

States and conformations

All results from a given calculation for ZnCH₃ (Zinc monomethyl)