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	hartrees
Energy at 0K	-538.518161
Energy at 298.15K	-538.521752
HF Energy	-538.518161
Nuclear repulsion energy	93.966302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3049	3.75
2	A'	3130	2987	13.23
3	A'	1510	1441	0.61
4	A'	1471	1404	4.28
5	A'	1265	1207	16.54
6	A'	1117	1065	8.90
7	A'	674	643	97.07
8	A'	575	549	19.04
9	A'	306	292	13.01
10	A"	3308	3157	4.78
11	A"	3199	3053	2.92
12	A"	1264	1206	0.10
13	A"	1073	1024	0.91
14	A"	785	749	2.53
15	A"	217	207	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.462	0.830	0.000
C2	0.000	0.868	0.000
Cl3	0.703	-0.840	0.000
H4	-2.006	0.707	0.930
H5	-2.006	0.707	-0.930
H6	0.416	1.336	-0.892
H7	0.416	1.336	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4626	2.7342	1.0840	1.0840	2.1403	2.1403
C2	1.4626		1.8473	2.2166	2.2166	1.0902	1.0902
Cl3	2.7342	1.8473		3.2550	3.2550	2.3695	2.3695
H4	1.0840	2.2166	3.2550		1.8599	3.0954	2.5024
H5	1.0840	2.2166	3.2550	1.8599		2.5024	3.0954
H6	2.1403	1.0902	2.3695	3.0954	2.5024		1.7847
H7	2.1403	1.0902	2.3695	2.5024	3.0954	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.857	C1	C2	H6	113.137
C1	C2	H7	113.137	C2	C1	H4	120.274
C2	C1	H5	120.274	Cl3	C2	H6	104.576
Cl3	C2	H7	104.576	H4	C1	H5	118.151

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

using model chemistry: HSEh1PBE/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	-0.219
2	C	-0.371
3	Cl	-0.099
4	H	0.153
5	H	0.153
6	H	0.192
7	H	0.192

	x	y	z	Total
	-1.071	1.945	0.000	2.221
CHELPG
AIM
ESP

	x	y	z
x	5.135	-1.130	0.000
y	-1.130	4.757	0.000
z	0.000	0.000	3.734

<r²>	73.960
(<r²>)^1/2	8.600

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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