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	hartrees
Energy at 0K	-535.814084
Energy at 298.15K	-535.817671
HF Energy	-535.743253
Nuclear repulsion energy	90.427466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3201	1.64
2	A'	3185	3185	4.27
3	A'	1569	1569	1.18
4	A'	1535	1535	7.15
5	A'	1216	1216	3.78
6	A'	1107	1107	6.53
7	A'	742	742	69.49
8	A'	363	363	43.13
9	A'	285	285	16.34
10	A"	3311	3311	3.17
11	A"	3262	3262	0.08
12	A"	1299	1299	0.06
13	A"	1045	1045	0.20
14	A"	823	823	3.90
15	A"	337	337	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.436	0.925	0.000
C2	0.000	0.992	0.000
Cl3	0.685	-0.932	0.000
H4	-1.979	0.811	0.928
H5	-1.979	0.811	-0.928
H6	0.465	1.363	-0.906
H7	0.465	1.363	0.906

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4378	2.8197	1.0811	1.0811	2.1510	2.1510
C2	1.4378		2.0424	2.1929	2.1929	1.0840	1.0840
Cl3	2.8197	2.0424		3.3159	3.3159	2.4777	2.4777
H4	1.0811	2.1929	3.3159		1.8566	3.1048	2.5050
H5	1.0811	2.1929	3.3159	1.8566		2.5050	3.1048
H6	2.1510	1.0840	2.4777	3.1048	2.5050		1.8123
H7	2.1510	1.0840	2.4777	2.5050	3.1048	1.8123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	106.947	C1	C2	H6	116.369
C1	C2	H7	116.369	C2	C1	H4	120.391
C2	C1	H5	120.391	Cl3	C2	H6	100.312
Cl3	C2	H7	100.312	H4	C1	H5	118.330

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

using model chemistry: B2PLYP/3-21G

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	-0.302
2	C	-0.500
3	Cl	-0.158
4	H	0.219
5	H	0.219
6	H	0.261
7	H	0.261

	x	y	z	Total
	-1.450	2.686	0.000	3.052
CHELPG
AIM
ESP

	x	y	z
x	5.008	-1.748	0.000
y	-1.748	5.179	0.000
z	0.000	0.000	3.092

<r²>	78.906
(<r²>)^1/2	8.883

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

using model chemistry: B2PLYP/3-21G

States and conformations

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