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	hartrees
Energy at 0K	-536.084655
Energy at 298.15K	-536.088286
HF Energy	-536.084655
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3201	1.06
2	A'	3183	3183	3.53
3	A'	1555	1555	2.27
4	A'	1513	1513	10.95
5	A'	1238	1238	2.42
6	A'	1116	1116	8.75
7	A'	723	723	80.57
8	A'	420	420	51.11
9	A'	299	299	15.65
10	A"	3315	3315	1.78
11	A"	3261	3261	0.01
12	A"	1294	1294	0.11
13	A"	1061	1061	0.14
14	A"	825	825	5.23
15	A"	312	312	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.441	0.890	0.000
C2	0.000	0.964	0.000
Cl3	0.688	-0.906	0.000
H4	-1.980	0.777	0.932
H5	-1.980	0.777	-0.932
H6	0.451	1.360	-0.906
H7	0.451	1.360	0.906

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4427	2.7852	1.0829	1.0829	2.1494	2.1494
C2	1.4427		1.9926	2.1968	2.1968	1.0864	1.0864
Cl3	2.7852	1.9926		3.2901	3.2901	2.4515	2.4515
H4	1.0829	2.1968	3.2901		1.8642	3.1030	2.5004
H5	1.0829	2.1968	3.2901	1.8642		2.5004	3.1030
H6	2.1494	1.0864	2.4515	3.1030	2.5004		1.8112
H7	2.1494	1.0864	2.4515	2.5004	3.1030	1.8112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	107.260	C1	C2	H6	115.684
C1	C2	H7	115.684	C2	C1	H4	120.202
C2	C1	H5	120.202	Cl3	C2	H6	101.446
Cl3	C2	H7	101.446	H4	C1	H5	118.799

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

using model chemistry: wB97X-D/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	-0.343
2	C	-0.585
3	Cl	-0.128
4	H	0.242
5	H	0.242
6	H	0.286
7	H	0.286

	x	y	z	Total
	-1.441	2.617	0.000	2.987
CHELPG
AIM
ESP

	x	y	z
x	4.936	-1.618	0.000
y	-1.618	4.961	0.000
z	0.000	0.000	3.109

<r²>	77.250
(<r²>)^1/2	8.789

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

using model chemistry: wB97X-D/3-21G

States and conformations

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