CCCBDB listing of experimental data page 2

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INChI	INChIKey	SMILES	IUPAC name
InChI=1S/CH3.Cu/h1H3;	HRNSPWKFRJGQEC-UHFFFAOYSA-N	[Cu]C
InChI=1/CH3.Cu/h1H3;/rCH3Cu/c1-2/h1H3	HRNSPWKFRJGQEC-CRCSLUCGNA-N	[Cu]C

Bond Type	Count
C-Cu	1
H-C	3

Atom 1	Atom 2
Cu1	C2
C2	H3
C2	H4
C2	H5

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_3v	True							C_3v	1	1

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_3v	True						C_3v	1	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for CuCH3 (monomethyl copper)

Experimental data for CuCH₃ (monomethyl copper)