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	hartrees
Energy at 0K	-537.495209
Energy at 298.15K	-537.498957
HF Energy	-537.495209
Nuclear repulsion energy	94.498918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	2976	8.62
2	A'	3296	2935	24.73
3	A'	1645	1465	1.30
4	A'	1605	1429	1.37
5	A'	1420	1265	42.49
6	A'	1147	1021	8.99
7	A'	728	648	133.92
8	A'	644	573	1.95
9	A'	335	299	12.97
10	A"	3448	3071	12.56
11	A"	3358	2990	6.42
12	A"	1387	1235	0.12
13	A"	1177	1048	1.01
14	A"	843	750	0.88
15	A"	224	199	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	-1.483	0.816	0.000
C2	0.000	0.854	0.000
Cl3	0.713	-0.819	0.000
H4	-2.003	0.619	0.918
H5	-2.003	0.619	-0.918
H6	0.395	1.335	-0.880
H7	0.395	1.335	0.880

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4837	2.7377	1.0733	1.0733	2.1384	2.1384
C2	1.4837		1.8189	2.2161	2.2161	1.0780	1.0780
Cl3	2.7377	1.8189		3.2072	3.2072	2.3487	2.3487
H4	1.0733	2.2161	3.2072		1.8361	3.0821	2.5034
H5	1.0733	2.2161	3.2072	1.8361		2.5034	3.0821
H6	2.1384	1.0780	2.3487	3.0821	2.5034		1.7604
H7	2.1384	1.0780	2.3487	2.5034	3.0821	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.583	C1	C2	H6	112.213
C1	C2	H7	112.213	C2	C1	H4	119.278
C2	C1	H5	119.278	Cl3	C2	H6	105.471
Cl3	C2	H7	105.471	H4	C1	H5	117.592

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

using model chemistry: ROHF/6-31G*

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	-0.317
2	C	-0.394
3	Cl	-0.125
4	H	0.194
5	H	0.194
6	H	0.224
7	H	0.224

	x	y	z	Total
	-1.107	1.963	0.000	2.254
CHELPG
AIM
ESP

<r²>	73.658
(<r²>)^1/2	8.582

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

using model chemistry: ROHF/6-31G*

States and conformations

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