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	hartrees
Energy at 0K	-538.100519
Energy at 298.15K	-538.104156
HF Energy	-537.558765
Nuclear repulsion energy	94.635437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3207	2.71
2	A'	3143	3143	10.33
3	A'	1529	1529	0.85
4	A'	1491	1491	3.05
5	A'	1295	1295	17.31
6	A'	1105	1105	8.68
7	A'	698	698	85.81
8	A'	609	609	7.04
9	A'	314	314	11.32
10	A"	3321	3321	2.39
11	A"	3207	3207	1.47
12	A"	1286	1286	0.31
13	A"	1089	1089	0.75
14	A"	789	789	0.75
15	A"	206	206	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.473	0.796	0.000
C2	0.000	0.857	0.000
Cl3	0.709	-0.818	0.000
H4	-2.006	0.657	0.926
H5	-2.006	0.657	-0.926
H6	0.398	1.337	-0.888
H7	0.398	1.337	0.888

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4741	2.7142	1.0781	1.0781	2.1398	2.1398
C2	1.4741		1.8192	2.2190	2.2190	1.0843	1.0843
Cl3	2.7142	1.8192		3.2263	3.2263	2.3510	2.3510
H4	1.0781	2.2190	3.2263		1.8529	3.0874	2.4985
H5	1.0781	2.2190	3.2263	1.8529		2.4985	3.0874
H6	2.1398	1.0843	2.3510	3.0874	2.4985		1.7751
H7	2.1398	1.0843	2.3510	2.4985	3.0874	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.572	C1	C2	H6	112.628
C1	C2	H7	112.628	C2	C1	H4	119.988
C2	C1	H5	119.988	Cl3	C2	H6	105.317
Cl3	C2	H7	105.317	H4	C1	H5	118.481

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

using model chemistry: MP3/6-311+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: MP3/6-311+G(3df,2p)

States and conformations

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