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	hartrees
Energy at 0K	-538.124863
Energy at 298.15K	-538.128471
HF Energy	-537.558517
Nuclear repulsion energy	94.261720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3116
2	A'	3098	3057
3	A'	1511	1491
4	A'	1472	1453
5	A'	1266	1249
6	A'	1093	1079
7	A'	668	659
8	A'	588	581
9	A'	306	302
10	A"	3270	3227
11	A"	3162	3121
12	A"	1266	1250
13	A"	1071	1057
14	A"	780	770
15	A"	219	216

Atom	x (Å)	y (Å)	z (Å)
C1	-1.471	0.802	0.000
C2	0.000	0.868	0.000
Cl3	0.708	-0.825	0.000
H4	-2.007	0.665	0.930
H5	-2.007	0.665	-0.930
H6	0.403	1.341	-0.892
H7	0.403	1.341	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4722	2.7191	1.0818	1.0818	2.1442	2.1442
C2	1.4722		1.8348	2.2208	2.2208	1.0877	1.0877
Cl3	2.7191	1.8348		3.2333	3.2333	2.3629	2.3629
H4	1.0818	2.2208	3.2333		1.8596	3.0956	2.5028
H5	1.0818	2.2208	3.2333	1.8596		2.5028	3.0956
H6	2.1442	1.0877	2.3629	3.0956	2.5028		1.7846
H7	2.1442	1.0877	2.3629	2.5028	3.0956	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.135	C1	C2	H6	112.917
C1	C2	H7	112.917	C2	C1	H4	120.032
C2	C1	H5	120.032	Cl3	C2	H6	105.015
Cl3	C2	H7	105.015	H4	C1	H5	118.514

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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: CCSD(T)/6-311+G(3df,2p)

States and conformations

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