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	hartrees
Energy at 0K	-536.060324
Energy at 298.15K	-536.063569
HF Energy	-536.060324
Nuclear repulsion energy	87.081775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3090	2.44
2	A'	3095	3078	1.80
3	A'	1539	1530	5.04
4	A'	1489	1481	10.39
5	A'	1241	1235	8.72
6	A'	1006	1000	18.02
7	A'	850	846	41.31
8	A'	221	219	7.87
9	A'	133	132	1.93
10	A"	3205	3187	3.23
11	A"	3176	3158	0.65
12	A"	1244	1237	0.01
13	A"	931	926	0.00
14	A"	830	825	3.48
15	A"	390	388	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.384	0.986	0.000
C2	0.000	1.169	0.000
Cl3	0.655	-1.029	0.000
H4	-1.934	0.859	0.933
H5	-1.934	0.859	-0.933
H6	0.516	1.427	-0.925
H7	0.516	1.427	0.925

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.3962	2.8670	1.0908	1.0908	2.1592	2.1592
C2	1.3962		2.2935	2.1699	2.1699	1.0905	1.0905
Cl3	2.8670	2.2935		3.3383	3.3383	2.6281	2.6281
H4	1.0908	2.1699	3.3383		1.8669	3.1276	2.5155
H5	1.0908	2.1699	3.3383	1.8669		2.5155	3.1276
H6	2.1592	1.0905	2.6281	3.1276	2.5155		1.8504
H7	2.1592	1.0905	2.6281	2.5155	3.1276	1.8504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	99.073	C1	C2	H6	120.026
C1	C2	H7	120.026	C2	C1	H4	121.009
C2	C1	H5	121.009	Cl3	C2	H6	95.250
Cl3	C2	H7	95.250	H4	C1	H5	117.674

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

using model chemistry: BLYP/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	-0.276
2	C	-0.389
3	Cl	-0.236
4	H	0.212
5	H	0.212
6	H	0.238
7	H	0.238

	x	y	z	Total
	-1.613	3.022	0.000	3.426
CHELPG
AIM
ESP

	x	y	z
x	5.894	-2.202	0.000
y	-2.202	6.122	0.000
z	0.000	0.000	3.119

<r²>	83.598
(<r²>)^1/2	9.143

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

using model chemistry: BLYP/3-21G

States and conformations

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