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	hartrees
Energy at 0K	-537.994371
Energy at 298.15K
HF Energy	-537.533876
Nuclear repulsion energy	93.310648

Atom	x (Å)	y (Å)	z (Å)
C1	-1.481	0.813	0.000
C2	0.000	0.881	0.000
Cl3	0.712	-0.836	0.000
H4	-2.021	0.671	0.940
H5	-2.021	0.671	-0.940
H6	0.411	1.352	-0.903
H7	0.411	1.352	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4827	2.7441	1.0932	1.0932	2.1645	2.1645
C2	1.4827		1.8588	2.2390	2.2390	1.0981	1.0981
Cl3	2.7441	1.8588		3.2599	3.2599	2.3858	2.3858
H4	1.0932	2.2390	3.2599		1.8792	3.1264	2.5259
H5	1.0932	2.2390	3.2599	1.8792		2.5259	3.1264
H6	2.1645	1.0981	2.3858	3.1264	2.5259		1.8062
H7	2.1645	1.0981	2.3858	2.5259	3.1264	1.8062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.903	C1	C2	H6	113.162
C1	C2	H7	113.162	C2	C1	H4	119.980
C2	C1	H5	119.980	Cl3	C2	H6	104.626
Cl3	C2	H7	104.626	H4	C1	H5	118.531

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)

using model chemistry: QCISD/aug-cc-pVDZ

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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All results from a given calculation for CH2CH2Cl (2-chloroethyl radical)

using model chemistry: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)