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	hartrees
Energy at 0K	-538.522226
Energy at 298.15K	-538.525821
HF Energy	-538.388611
Nuclear repulsion energy	93.486376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3051	3.30
2	A'	3127	2997	13.99
3	A'	1496	1434	0.35
4	A'	1456	1395	2.90
5	A'	1242	1190	15.82
6	A'	1110	1064	8.21
7	A'	660	633	80.56
8	A'	565	542	20.27
9	A'	303	290	12.34
10	A"	3301	3164	3.85
11	A"	3198	3065	3.31
12	A"	1256	1203	0.15
13	A"	1056	1012	0.79
14	A"	783	751	1.51
15	A"	227	218	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.468	0.831	0.000
C2	0.000	0.879	0.000
Cl3	0.705	-0.843	0.000
H4	-2.010	0.692	0.936
H5	-2.010	0.692	-0.936
H6	0.420	1.345	-0.899
H7	0.420	1.345	0.899

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4684	2.7426	1.0908	1.0908	2.1527	2.1527
C2	1.4684		1.8612	2.2252	2.2252	1.0959	1.0959
Cl3	2.7426	1.8612		3.2564	3.2564	2.3830	2.3830
H4	1.0908	2.2252	3.2564		1.8723	3.1140	2.5161
H5	1.0908	2.2252	3.2564	1.8723		2.5161	3.1140
H6	2.1527	1.0959	2.3830	3.1140	2.5161		1.7977
H7	2.1527	1.0959	2.3830	2.5161	3.1140	1.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.359	C1	C2	H6	113.376
C1	C2	H7	113.376	C2	C1	H4	120.077
C2	C1	H5	120.077	Cl3	C2	H6	104.385
Cl3	C2	H7	104.385	H4	C1	H5	118.244

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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