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	hartrees
Energy at 0K	-538.680131
Energy at 298.15K	-538.683798
HF Energy	-538.680131
Nuclear repulsion energy	93.975912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3039	2.37
2	A'	3130	2981	10.03
3	A'	1509	1437	0.48
4	A'	1469	1399	6.15
5	A'	1274	1213	22.77
6	A'	1111	1058	11.01
7	A'	658	626	110.54
8	A'	573	546	21.84
9	A'	314	299	15.74
10	A"	3304	3146	3.08
11	A"	3199	3046	1.43
12	A"	1263	1203	0.01
13	A"	1071	1020	0.83
14	A"	776	739	1.59
15	A"	274	260	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.467	0.822	0.000
C2	0.000	0.870	0.000
Cl3	0.705	-0.836	0.000
H4	-2.005	0.690	0.930
H5	-2.005	0.690	-0.930
H6	0.411	1.339	-0.893
H7	0.411	1.339	0.893

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4674	2.7324	1.0826	1.0826	2.1423	2.1423
C2	1.4674		1.8462	2.2174	2.2174	1.0892	1.0892
Cl3	2.7324	1.8462		3.2466	3.2466	2.3696	2.3696
H4	1.0826	2.2174	3.2466		1.8599	3.0952	2.5015
H5	1.0826	2.2174	3.2466	1.8599		2.5015	3.0952
H6	2.1423	1.0892	2.3696	3.0952	2.5015		1.7867
H7	2.1423	1.0892	2.3696	2.5015	3.0952	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.577	C1	C2	H6	113.013
C1	C2	H7	113.013	C2	C1	H4	120.066
C2	C1	H5	120.066	Cl3	C2	H6	104.694
Cl3	C2	H7	104.694	H4	C1	H5	118.416

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

using model chemistry: M06-2X/6-31+G**

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	-0.236
2	C	-0.469
3	Cl	-0.071
4	H	0.174
5	H	0.174
6	H	0.214
7	H	0.214

	x	y	z	Total
	-1.067	1.951	0.000	2.224
CHELPG
AIM
ESP

	x	y	z
x	5.929	-1.183	0.000
y	-1.183	5.830	0.000
z	0.000	0.000	4.385

<r²>	74.340
(<r²>)^1/2	8.622

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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