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	hartrees
Energy at 0K	-532.592238
Energy at 298.15K	-532.595739
HF Energy	-532.592238
Nuclear repulsion energy	92.730218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3443	3040	3.28
2	A'	3391	2995	0.32
3	A'	1635	1444	1.40
4	A'	1585	1399	0.20
5	A'	1350	1192	8.18
6	A'	1163	1027	6.51
7	A'	756	668	39.18
8	A'	574	507	17.02
9	A'	311	274	9.37
10	A"	3618	3195	0.71
11	A"	3515	3104	0.47
12	A"	1347	1190	1.18
13	A"	1132	1000	0.00
14	A"	824	727	1.63
15	A"	252	223	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	-1.489	0.843	0.000
C2	0.000	0.878	0.000
Cl3	0.716	-0.848	0.000
H4	-2.029	0.690	0.939
H5	-2.029	0.690	-0.939
H6	0.412	1.358	-0.903
H7	0.412	1.358	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4893	2.7785	1.0939	1.0939	2.1669	2.1669
C2	1.4893		1.8682	2.2435	2.2435	1.1029	1.1029
Cl3	2.7785	1.8682		3.2835	3.2835	2.4032	2.4032
H4	1.0939	2.2435	3.2835		1.8780	3.1302	2.5311
H5	1.0939	2.2435	3.2835	1.8780		2.5311	3.1302
H6	2.1669	1.1029	2.4032	3.1302	2.5311		1.8060
H7	2.1669	1.1029	2.4032	2.5311	3.1302	1.8060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.189	C1	C2	H6	112.573
C1	C2	H7	112.573	C2	C1	H4	119.783
C2	C1	H5	119.783	Cl3	C2	H6	105.031
Cl3	C2	H7	105.031	H4	C1	H5	118.284

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.114
2	C	-0.117
3	Cl	-0.180
4	H	0.090
5	H	0.090
6	H	0.116
7	H	0.116

	x	y	z	Total
	-1.139	2.053	0.000	2.348
CHELPG
AIM
ESP

	x	y	z
x	2.496	-0.862	0.000
y	-0.862	2.531	0.000
z	0.000	0.000	1.636

<r²>	74.514
(<r²>)^1/2	8.632

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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