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	hartrees
Energy at 0K	-536.132280
Energy at 298.15K	-536.135756
HF Energy	-536.132280
Nuclear repulsion energy	89.701964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3064	1.27
2	A'	3170	3059	3.05
3	A'	1555	1501	0.89
4	A'	1516	1463	9.65
5	A'	1199	1157	5.29
6	A'	1106	1067	2.33
7	A'	784	757	61.18
8	A'	271	261	1.62
9	A'	253	244	39.94
10	A"	3283	3168	2.85
11	A"	3246	3132	0.01
12	A"	1278	1234	0.05
13	A"	1012	976	0.11
14	A"	824	795	4.18
15	A"	365	352	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.418	0.946	0.000
C2	0.000	1.032	0.000
Cl3	0.675	-0.958	0.000
H4	-1.964	0.839	0.929
H5	-1.964	0.839	-0.929
H6	0.483	1.368	-0.911
H7	0.483	1.368	0.911

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4203	2.8286	1.0832	1.0832	2.1496	2.1496
C2	1.4203		2.1007	2.1811	2.1811	1.0849	1.0849
Cl3	2.8286	2.1007		3.3243	3.3243	2.5055	2.5055
H4	1.0832	2.1811	3.3243		1.8589	3.1071	2.5030
H5	1.0832	2.1811	3.3243	1.8589		2.5030	3.1071
H6	2.1496	1.0849	2.5055	3.1071	2.5030		1.8230
H7	2.1496	1.0849	2.5055	2.5030	3.1071	1.8230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	105.257	C1	C2	H6	117.571
C1	C2	H7	117.571	C2	C1	H4	120.603
C2	C1	H5	120.603	Cl3	C2	H6	98.674
Cl3	C2	H7	98.674	H4	C1	H5	118.190

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

using model chemistry: B3LYP/3-21G

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	-0.296
2	C	-0.483
3	Cl	-0.185
4	H	0.222
5	H	0.222
6	H	0.261
7	H	0.261

	x	y	z	Total
	-1.544	2.847	0.000	3.239
CHELPG
AIM
ESP

	x	y	z
x	5.378	-1.948	0.000
y	-1.948	5.449	0.000
z	0.000	0.000	3.097

<r²>	79.738
(<r²>)^1/2	8.930

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

using model chemistry: B3LYP/3-21G

States and conformations

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