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	hartrees
Energy at 0K	-538.723033
Energy at 298.15K	-538.726710
HF Energy	-538.723033
Nuclear repulsion energy	94.011506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3179	2.26
2	A'	3128	3128	11.95
3	A'	1515	1515	0.76
4	A'	1478	1478	6.62
5	A'	1293	1293	20.09
6	A'	1110	1110	9.96
7	A'	647	647	107.62
8	A'	567	567	22.54
9	A'	313	313	15.07
10	A"	3290	3290	3.70
11	A"	3194	3194	2.10
12	A"	1282	1282	0.05
13	A"	1084	1084	2.30
14	A"	780	780	2.90
15	A"	285	285	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.464	0.825	0.000
C2	0.000	0.872	0.000
Cl3	0.703	-0.837	0.000
H4	-2.002	0.690	0.928
H5	-2.002	0.690	-0.928
H6	0.414	1.336	-0.892
H7	0.414	1.336	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4645	2.7313	1.0813	1.0813	2.1403	2.1403
C2	1.4645		1.8488	2.2143	2.2143	1.0869	1.0869
Cl3	2.7313	1.8488		3.2425	3.2425	2.3671	2.3671
H4	1.0813	2.2143	3.2425		1.8560	3.0928	2.5010
H5	1.0813	2.2143	3.2425	1.8560		2.5010	3.0928
H6	2.1403	1.0869	2.3671	3.0928	2.5010		1.7836
H7	2.1403	1.0869	2.3671	2.5010	3.0928	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.510	C1	C2	H6	113.217
C1	C2	H7	113.217	C2	C1	H4	120.111
C2	C1	H5	120.111	Cl3	C2	H6	104.458
Cl3	C2	H7	104.458	H4	C1	H5	118.228

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.388
2	C	-0.568
3	Cl	-0.107
4	H	0.248
5	H	0.248
6	H	0.284
7	H	0.284

	x	y	z	Total
	-1.150	1.993	0.000	2.301
CHELPG
AIM
ESP

	x	y	z
x	5.296	-1.312	0.000
y	-1.312	5.315	0.000
z	0.000	0.000	3.675

<r²>	74.318
(<r²>)^1/2	8.621

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

using model chemistry: M06-2X/6-311G*

States and conformations

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