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	hartrees
Energy at 0K	-27.951957
Energy at 298.15K	-27.955683
HF Energy	-27.951957
Nuclear repulsion energy	37.649375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	2977	8.92
2	A'	3284	2967	32.47
3	A'	1631	1473	0.68
4	A'	1579	1426	1.05
5	A'	1396	1261	44.23
6	A'	1122	1014	8.82
7	A'	708	639	132.56
8	A'	620	560	1.91
9	A'	327	295	13.68
10	A"	3410	3081	20.37
11	A"	3353	3029	8.86
12	A"	1364	1233	0.07
13	A"	1161	1049	1.14
14	A"	829	749	0.34
15	A"	231	209	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.489	0.812	0.000
C2	0.000	0.866	0.000
Cl3	0.716	-0.825	0.000
H4	-2.015	0.634	0.923
H5	-2.015	0.634	-0.923
H6	0.395	1.342	-0.884
H7	0.395	1.342	0.884

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4904	2.7464	1.0769	1.0769	2.1483	2.1483
C2	1.4904		1.8359	2.2281	2.2281	1.0793	1.0793
Cl3	2.7464	1.8359		3.2309	3.2309	2.3619	2.3619
H4	1.0769	2.2281	3.2309		1.8467	3.0944	2.5118
H5	1.0769	2.2281	3.2309	1.8467		2.5118	3.0944
H6	2.1483	1.0793	2.3619	3.0944	2.5118		1.7688
H7	2.1483	1.0793	2.3619	2.5118	3.0944	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.883	C1	C2	H6	112.455
C1	C2	H7	112.455	C2	C1	H4	119.557
C2	C1	H5	119.557	Cl3	C2	H6	105.257
Cl3	C2	H7	105.257	H4	C1	H5	118.045

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

using model chemistry: HF/CEP-121G*

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	-0.339
2	C	-0.215
3	Cl	-0.209
4	H	0.183
5	H	0.183
6	H	0.199
7	H	0.199

	x	y	z	Total
	-1.074	1.985	0.000	2.257
CHELPG
AIM
ESP

	x	y	z
x	4.952	-0.937	0.000
y	-0.937	5.124	0.000
z	0.000	0.000	3.909

<r²>	54.717
(<r²>)^1/2	7.397

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

using model chemistry: HF/CEP-121G*

States and conformations

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