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	hartrees
Energy at 0K	-1818.912739
Energy at 298.15K
Nuclear repulsion energy	76.917690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3049	2920	21.31
2	A₁	1237	1184	0.10
3	A₁	516	494	8.98
4	E	3153	3020	12.84
4	E	3153	3020	12.84
5	E	1473	1410	7.25
5	E	1473	1410	7.25
6	E	654	626	3.97
6	E	654	626	3.96

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.481
C2	0.000	0.000	-1.476
H3	0.000	1.028	-1.856
H4	0.890	-0.514	-1.856
H5	-0.890	-0.514	-1.856

	Zn1	C2	H3	H4	H5
Zn1		1.9567	2.5528	2.5528	2.5528
C2	1.9567		1.0962	1.0962	1.0962
H3	2.5528	1.0962		1.7810	1.7810
H4	2.5528	1.0962	1.7810		1.7810
H5	2.5528	1.0962	1.7810	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H3	110.279	Zn1	C2	H4	110.279
Zn1	C2	H5	110.279	H3	C2	H4	108.651
H3	C2	H5	108.651	H4	C2	H5	108.651

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

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	0.283
2	C	-0.801
3	H	0.173
4	H	0.173
5	H	0.173

	x	y	z	Total
	0.000	0.000	-0.340	0.340
CHELPG
AIM
ESP

	x	y	z
x	7.042	0.000	0.000
y	0.000	7.044	-0.001
z	0.000	-0.001	8.436

<r²>	47.657
(<r²>)^1/2	6.903

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

using model chemistry: B3PW91/6-31G

States and conformations

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