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	hartrees
Energy at 0K	-538.763037
Energy at 298.15K	-538.766696
HF Energy	-538.763037
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3036	3.86
2	A'	3133	2992	12.45
3	A'	1516	1448	1.08
4	A'	1476	1409	5.67
5	A'	1279	1222	17.41
6	A'	1105	1055	9.13
7	A'	692	661	104.95
8	A'	587	561	20.43
9	A'	309	295	12.91
10	A"	3292	3144	4.22
11	A"	3200	3056	2.63
12	A"	1272	1215	0.02
13	A"	1081	1033	0.87
14	A"	805	768	1.53
15	A"	236	225	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	-1.458	0.831	0.000
C2	0.000	0.878	0.000
Cl3	0.701	-0.844	0.000
H4	-1.999	0.712	0.929
H5	-1.999	0.712	-0.929
H6	0.416	1.338	-0.892
H7	0.416	1.338	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4591	2.7326	1.0815	1.0815	2.1365	2.1365
C2	1.4591		1.8590	2.2104	2.2104	1.0862	1.0862
Cl3	2.7326	1.8590		3.2515	3.2515	2.3745	2.3745
H4	1.0815	2.2104	3.2515		1.8587	3.0882	2.4944
H5	1.0815	2.2104	3.2515	1.8587		2.4944	3.0882
H6	2.1365	1.0862	2.3745	3.0882	2.4944		1.7835
H7	2.1365	1.0862	2.3745	2.4944	3.0882	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.303	C1	C2	H6	113.336
C1	C2	H7	113.336	C2	C1	H4	120.189
C2	C1	H5	120.189	Cl3	C2	H6	104.374
Cl3	C2	H7	104.374	H4	C1	H5	118.472

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

using model chemistry: wB97X-D/TZVP

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	-0.271
2	C	-0.187
3	Cl	-0.161
4	H	0.149
5	H	0.149
6	H	0.160
7	H	0.160

	x	y	z	Total
	-1.012	1.928	0.000	2.177
CHELPG
AIM
ESP

	x	y	z
x	5.669	-1.225	0.000
y	-1.225	5.584	0.000
z	0.000	0.000	4.114

<r²>	74.226
(<r²>)^1/2	8.615

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

using model chemistry: wB97X-D/TZVP

States and conformations

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