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	hartrees
Energy at 0K	-537.541627
Energy at 298.15K	-537.545370
HF Energy	-537.541627
Nuclear repulsion energy	94.384181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3003	6.88
2	A'	3259	2974	24.62
3	A'	1618	1477	0.73
4	A'	1579	1441	2.78
5	A'	1402	1279	41.67
6	A'	1138	1038	9.70
7	A'	715	653	135.11
8	A'	632	576	1.90
9	A'	331	302	12.95
10	A"	3401	3104	11.17
11	A"	3320	3030	6.41
12	A"	1370	1251	0.00
13	A"	1162	1060	2.06
14	A"	834	761	1.19
15	A"	222	203	2.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.482	0.818	0.000
C2	0.000	0.858	0.000
Cl3	0.712	-0.823	0.000
H4	-2.003	0.633	0.920
H5	-2.003	0.633	-0.920
H6	0.398	1.332	-0.883
H7	0.398	1.332	0.883

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4820	2.7392	1.0740	1.0740	2.1388	2.1388
C2	1.4820		1.8248	2.2160	2.2160	1.0779	1.0779
Cl3	2.7392	1.8248		3.2154	3.2154	2.3493	2.3493
H4	1.0740	2.2160	3.2154		1.8404	3.0828	2.5011
H5	1.0740	2.2160	3.2154	1.8404		2.5011	3.0828
H6	2.1388	1.0779	2.3493	3.0828	2.5011		1.7650
H7	2.1388	1.0779	2.3493	2.5011	3.0828	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.437	C1	C2	H6	112.370
C1	C2	H7	112.370	C2	C1	H4	119.365
C2	C1	H5	119.365	Cl3	C2	H6	105.135
Cl3	C2	H7	105.135	H4	C1	H5	117.921

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

using model chemistry: ROHF/6-311G**

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	-0.184
2	C	-0.212
3	Cl	-0.172
4	H	0.129
5	H	0.129
6	H	0.155
7	H	0.155

	x	y	z	Total
	-1.130	2.021	0.000	2.316
CHELPG
AIM
ESP

<r²>	74.010
(<r²>)^1/2	8.603

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

using model chemistry: ROHF/6-311G**

States and conformations

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