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	hartrees
Energy at 0K	-538.642477
Energy at 298.15K	-538.646059
HF Energy	-538.642477
Nuclear repulsion energy	91.016331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3058	3.04
2	A'	3160	3026	7.72
3	A'	1541	1476	0.76
4	A'	1501	1437	8.84
5	A'	1231	1179	3.98
6	A'	1150	1101	8.93
7	A'	750	718	77.62
8	A'	399	382	45.94
9	A'	291	278	16.35
10	A"	3309	3169	7.01
11	A"	3243	3106	1.12
12	A"	1275	1221	0.05
13	A"	1051	1007	0.48
14	A"	813	778	4.29
15	A"	297	285	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.443	0.924	0.000
C2	0.000	0.953	0.000
Cl3	0.689	-0.919	0.000
H4	-1.994	0.837	0.930
H5	-1.994	0.837	-0.930
H6	0.462	1.345	-0.903
H7	0.462	1.345	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4429	2.8180	1.0844	1.0844	2.1499	2.1499
C2	1.4429		1.9952	2.2032	2.2032	1.0878	1.0878
Cl3	2.8180	1.9952		3.3391	3.3391	2.4484	2.4484
H4	1.0844	2.2032	3.3391		1.8594	3.1066	2.5084
H5	1.0844	2.2032	3.3391	1.8594		2.5084	3.1066
H6	2.1499	1.0878	2.4484	3.1066	2.5084		1.8065
H7	2.1499	1.0878	2.4484	2.5084	3.1066	1.8065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.043	C1	C2	H6	115.609
C1	C2	H7	115.609	C2	C1	H4	120.666
C2	C1	H5	120.666	Cl3	C2	H6	101.035
Cl3	C2	H7	101.035	H4	C1	H5	118.042

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

using model chemistry: B3PW91/6-31G

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	-0.229
2	C	-0.473
3	Cl	-0.128
4	H	0.184
5	H	0.184
6	H	0.231
7	H	0.231

	x	y	z	Total
	-1.418	2.637	0.000	2.994
CHELPG
AIM
ESP

	x	y	z
x	5.270	-1.704	0.000
y	-1.704	5.221	0.000
z	0.000	0.000	3.334

<r²>	78.077
(<r²>)^1/2	8.836

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

using model chemistry: B3PW91/6-31G

States and conformations

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