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	hartrees
Energy at 0K	-538.694665
Energy at 298.15K	-538.698138
HF Energy	-538.694665
Nuclear repulsion energy	91.902056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	3069	3.21
2	A'	3039	3023	9.03
3	A'	1461	1453	0.07
4	A'	1427	1419	2.34
5	A'	1167	1161	7.42
6	A'	1086	1080	8.45
7	A'	684	681	52.16
8	A'	412	410	46.19
9	A'	279	278	16.49
10	A"	3190	3172	6.07
11	A"	3106	3089	2.26
12	A"	1213	1206	0.21
13	A"	1004	998	0.54
14	A"	765	761	1.26
15	A"	267	266	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-1.454	0.884	0.000
C2	0.000	0.925	0.000
Cl3	0.696	-0.888	0.000
H4	-2.006	0.775	0.934
H5	-2.006	0.775	-0.934
H6	0.451	1.345	-0.904
H7	0.451	1.345	0.904

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4547	2.7865	1.0903	1.0903	2.1583	2.1583
C2	1.4547		1.9417	2.2176	2.2176	1.0945	1.0945
Cl3	2.7865	1.9417		3.3071	3.3071	2.4218	2.4218
H4	1.0903	2.2176	3.3071		1.8680	3.1207	2.5219
H5	1.0903	2.2176	3.3071	1.8680		2.5219	3.1207
H6	2.1583	1.0945	2.4218	3.1207	2.5219		1.8087
H7	2.1583	1.0945	2.4218	2.5219	3.1207	1.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.421	C1	C2	H6	114.976
C1	C2	H7	114.976	C2	C1	H4	120.568
C2	C1	H5	120.568	Cl3	C2	H6	102.186
Cl3	C2	H7	102.186	H4	C1	H5	117.891

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.188
2	C	-0.138
3	Cl	-0.216
4	H	0.126
5	H	0.126
6	H	0.144
7	H	0.144

	x	y	z	Total
	-1.162	2.110	0.000	2.409
CHELPG
AIM
ESP

	x	y	z
x	6.206	-1.483	0.000
y	-1.483	5.655	0.000
z	0.000	0.000	4.292

<r²>	76.571
(<r²>)^1/2	8.750

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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