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	hartrees
Energy at 0K	-538.573048
Energy at 298.15K
HF Energy	-538.412080
Nuclear repulsion energy	93.716433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3180	3.86
2	A'	3128	3128	14.95
3	A'	1513	1513	0.34
4	A'	1480	1480	4.47
5	A'	1286	1286	19.33
6	A'	1105	1105	8.94
7	A'	680	680	91.66
8	A'	559	559	27.13
9	A'	306	306	12.57
10	A"	3291	3291	5.47
11	A"	3194	3194	3.67
12	A"	1277	1277	0.00
13	A"	1083	1083	2.29
14	A"	794	794	2.01
15	A"	232	232	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.463	0.835	0.000
C2	0.000	0.877	0.000
Cl3	0.703	-0.845	0.000
H4	-2.004	0.712	0.928
H5	-2.004	0.712	-0.928
H6	0.415	1.337	-0.893
H7	0.415	1.337	0.893

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4637	2.7414	1.0810	1.0810	2.1390	2.1390
C2	1.4637		1.8606	2.2144	2.2144	1.0863	1.0863
Cl3	2.7414	1.8606		3.2581	3.2581	2.3751	2.3751
H4	1.0810	2.2144	3.2581		1.8562	3.0910	2.4980
H5	1.0810	2.2144	3.2581	1.8562		2.4980	3.0910
H6	2.1390	1.0863	2.3751	3.0910	2.4980		1.7855
H7	2.1390	1.0863	2.3751	2.4980	3.0910	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.538	C1	C2	H6	113.201
C1	C2	H7	113.201	C2	C1	H4	120.213
C2	C1	H5	120.213	Cl3	C2	H6	104.312
Cl3	C2	H7	104.312	H4	C1	H5	118.304

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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: B2PLYP=FULLultrafine/6-311G**

States and conformations

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