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	hartrees
Energy at 0K	-537.934391
Energy at 298.15K	-537.938052
HF Energy	-537.506191
Nuclear repulsion energy	94.373533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3048	5.28
2	A'	3180	2981	18.48
3	A'	1558	1461	0.65
4	A'	1527	1432	1.33
5	A'	1342	1258	27.68
6	A'	1119	1049	7.85
7	A'	711	666	84.43
8	A'	611	573	9.43
9	A'	319	299	9.74
10	A"	3366	3156	7.45
11	A"	3246	3044	6.60
12	A"	1314	1232	0.05
13	A"	1116	1046	1.13
14	A"	801	751	0.93
15	A"	212	199	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.478	0.812	0.000
C2	0.000	0.852	0.000
Cl3	0.712	-0.823	0.000
H4	-2.013	0.667	0.926
H5	-2.013	0.667	-0.926
H6	0.395	1.341	-0.886
H7	0.395	1.341	0.886

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4781	2.7329	1.0791	1.0791	2.1377	2.1377
C2	1.4781		1.8205	2.2233	2.2233	1.0860	1.0860
Cl3	2.7329	1.8205		3.2406	3.2406	2.3598	2.3598
H4	1.0791	2.2233	3.2406		1.8510	3.0875	2.5006
H5	1.0791	2.2233	3.2406	1.8510		2.5006	3.0875
H6	2.1377	1.0860	2.3598	3.0875	2.5006		1.7719
H7	2.1377	1.0860	2.3598	2.5006	3.0875	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.474	C1	C2	H6	112.053
C1	C2	H7	112.053	C2	C1	H4	119.974
C2	C1	H5	119.974	Cl3	C2	H6	105.780
Cl3	C2	H7	105.780	H4	C1	H5	118.116

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)