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	hartrees
Energy at 0K	-538.717918
Energy at 298.15K	-538.721421
HF Energy	-538.717918
Nuclear repulsion energy	92.387147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3063	5.21
2	A'	3068	3008	14.51
3	A'	1501	1472	0.21
4	A'	1458	1429	2.95
5	A'	1215	1191	12.48
6	A'	1107	1085	9.67
7	A'	676	663	68.22
8	A'	431	422	48.98
9	A'	290	284	20.08
10	A"	3227	3164	10.01
11	A"	3137	3075	4.99
12	A"	1241	1216	0.07
13	A"	1040	1019	0.85
14	A"	780	764	2.28
15	A"	266	261	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.455	0.870	0.000
C2	0.000	0.913	0.000
Cl3	0.697	-0.876	0.000
H4	-2.003	0.748	0.933
H5	-2.003	0.748	-0.933
H6	0.439	1.350	-0.902
H7	0.439	1.350	0.902

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4555	2.7712	1.0891	1.0891	2.1518	2.1518
C2	1.4555		1.9203	2.2157	2.2157	1.0940	1.0940
Cl3	2.7712	1.9203		3.2860	3.2860	2.4160	2.4160
H4	1.0891	2.2157	3.2860		1.8669	3.1131	2.5149
H5	1.0891	2.2157	3.2860	1.8669		2.5149	3.1131
H6	2.1518	1.0940	2.4160	3.1131	2.5149		1.8034
H7	2.1518	1.0940	2.4160	2.5149	3.1131	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.581	C1	C2	H6	114.387
C1	C2	H7	114.387	C2	C1	H4	120.400
C2	C1	H5	120.400	Cl3	C2	H6	103.106
Cl3	C2	H7	103.106	H4	C1	H5	117.978

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

using model chemistry: B97D3/6-31G*

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	-0.266
2	C	-0.372
3	Cl	-0.136
4	H	0.178
5	H	0.178
6	H	0.209
7	H	0.209

	x	y	z	Total
	-1.192	2.130	0.000	2.440
CHELPG
AIM
ESP

	x	y	z
x	5.596	-1.441	0.000
y	-1.441	5.085	0.000
z	0.000	0.000	3.739

<r²>	75.790
(<r²>)^1/2	8.706

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

using model chemistry: B97D3/6-31G*

States and conformations

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