Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at QCISD(T)=FULL/aug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-1.464	0.804	0.000
C2	0.000	0.868	0.000
Cl3	0.704	-0.826	0.000
H4	-1.996	0.666	0.927
H5	-1.996	0.666	-0.927
H6	0.402	1.339	-0.890
H7	0.402	1.339	0.890

Atom - Atom Distances (Å)

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4650	2.7125	1.0776	1.0776	2.1353	2.1353
C2	1.4650		1.8350	2.2099	2.2099	1.0843	1.0843
Cl3	2.7125	1.8350		3.2211	3.2211	2.3605	2.3605
H4	1.0776	2.2099	3.2211		1.8533	3.0831	2.4913
H5	1.0776	2.2099	3.2211	1.8533		2.4913	3.0831
H6	2.1353	1.0843	2.3605	3.0831	2.4913		1.7800
H7	2.1353	1.0843	2.3605	2.4913	3.0831	1.7800

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	Cl3	110.066		C1	C2	H6	112.934
C1	C2	H7	112.934		C2	C1	H4	119.946
C2	C1	H5	119.946		Cl3	C2	H6	104.988
Cl3	C2	H7	104.988		H4	C1	H5	118.609