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	hartrees
Energy at 0K	-535.320021
Energy at 298.15K	-535.323610
HF Energy	-534.986170
Nuclear repulsion energy	92.689364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3018	4.29
2	A'	3102	2981	10.49
3	A'	1556	1495	3.77
4	A'	1521	1462	1.77
5	A'	1301	1250	11.65
6	A'	1037	997	5.80
7	A'	649	624	85.77
8	A'	529	508	18.92
9	A'	313	301	12.03
10	A"	3247	3121	6.75
11	A"	3162	3039	2.37
12	A"	1308	1258	0.10
13	A"	1094	1052	0.62
14	A"	809	777	2.80
15	A"	236	226	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.487	0.832	0.000
C2	0.000	0.893	0.000
Cl3	0.715	-0.849	0.000
H4	-2.023	0.685	0.934
H5	-2.023	0.685	-0.934
H6	0.409	1.360	-0.899
H7	0.409	1.360	0.899

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4879	2.7697	1.0874	1.0874	2.1636	2.1636
C2	1.4879		1.8832	2.2380	2.2380	1.0926	1.0926
Cl3	2.7697	1.8832		3.2742	3.2742	2.4052	2.4052
H4	1.0874	2.2380	3.2742		1.8689	3.1196	2.5242
H5	1.0874	2.2380	3.2742	1.8689		2.5242	3.1196
H6	2.1636	1.0926	2.4052	3.1196	2.5242		1.7979
H7	2.1636	1.0926	2.4052	2.5242	3.1196	1.7979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.938	C1	C2	H6	113.050
C1	C2	H7	113.050	C2	C1	H4	119.887
C2	C1	H5	119.887	Cl3	C2	H6	104.705
Cl3	C2	H7	104.705	H4	C1	H5	118.494

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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