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	hartrees
Energy at 0K	-538.757925
Energy at 298.15K	-538.761567
HF Energy	-538.757925
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3031	4.18
2	A'	3123	2987	14.81
3	A'	1510	1444	0.79
4	A'	1469	1405	6.02
5	A'	1281	1225	17.91
6	A'	1105	1057	9.35
7	A'	681	651	103.57
8	A'	583	557	21.91
9	A'	309	296	12.15
10	A"	3282	3139	5.25
11	A"	3190	3051	3.42
12	A"	1270	1215	0.01
13	A"	1082	1035	2.07
14	A"	800	765	2.53
15	A"	230	220	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.461	0.830	0.000
C2	0.000	0.875	0.000
Cl3	0.702	-0.843	0.000
H4	-2.002	0.714	0.931
H5	-2.002	0.714	-0.931
H6	0.416	1.335	-0.893
H7	0.416	1.335	0.893

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4618	2.7344	1.0827	1.0827	2.1397	2.1397
C2	1.4618		1.8554	2.2139	2.2139	1.0877	1.0877
Cl3	2.7344	1.8554		3.2566	3.2566	2.3707	2.3707
H4	1.0827	2.2139	3.2566		1.8612	3.0923	2.4974
H5	1.0827	2.2139	3.2566	1.8612		2.4974	3.0923
H6	2.1397	1.0877	2.3707	3.0923	2.4974		1.7866
H7	2.1397	1.0877	2.3707	2.4974	3.0923	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.473	C1	C2	H6	113.312
C1	C2	H7	113.312	C2	C1	H4	120.195
C2	C1	H5	120.195	Cl3	C2	H6	104.272
Cl3	C2	H7	104.272	H4	C1	H5	118.526

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

using model chemistry: wB97X-D/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	-0.218
2	C	-0.329
3	Cl	-0.132
4	H	0.152
5	H	0.152
6	H	0.188
7	H	0.188

	x	y	z	Total
	-1.107	2.005	0.000	2.290
CHELPG
AIM
ESP

	x	y	z
x	5.422	-1.326	0.000
y	-1.326	5.363	0.000
z	0.000	0.000	3.753

<r²>	74.379
(<r²>)^1/2	8.624

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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