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	hartrees
Energy at 0K	-537.687796
Energy at 298.15K	-537.691430
HF Energy	-537.451989
Nuclear repulsion energy	90.919440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3031	4.54
2	A'	3119	2993	12.10
3	A'	1547	1485	0.88
4	A'	1518	1457	4.13
5	A'	1283	1231	20.70
6	A'	1104	1059	13.79
7	A'	690	662	89.75
8	A'	519	498	42.96
9	A'	308	295	10.64
10	A"	3268	3136	10.70
11	A"	3191	3062	3.82
12	A"	1296	1244	0.01
13	A"	1076	1032	0.72
14	A"	804	772	2.30
15	A"	261	250	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	-1.476	0.908	0.000
C2	0.000	0.927	0.000
Cl3	0.708	-0.901	0.000
H4	-2.027	0.800	0.935
H5	-2.027	0.800	-0.935
H6	0.441	1.359	-0.903
H7	0.441	1.359	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4761	2.8357	1.0903	1.0903	2.1664	2.1664
C2	1.4761		1.9603	2.2357	2.2357	1.0941	1.0941
Cl3	2.8357	1.9603		3.3534	3.3534	2.4491	2.4491
H4	1.0903	2.2357	3.3534		1.8690	3.1273	2.5307
H5	1.0903	2.2357	3.3534	1.8690		2.5307	3.1273
H6	2.1664	1.0941	2.4491	3.1273	2.5307		1.8061
H7	2.1664	1.0941	2.4491	2.5307	3.1273	1.8061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.423	C1	C2	H6	114.076
C1	C2	H7	114.076	C2	C1	H4	120.444
C2	C1	H5	120.444	Cl3	C2	H6	102.908
Cl3	C2	H7	102.908	H4	C1	H5	117.994

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

using model chemistry: CCD/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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All results from a given calculation for CH2CH2Cl (2-chloroethyl radical)

using model chemistry: CCD/6-31G

States and conformations

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