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	hartrees
Energy at 0K	-537.514886
Energy at 298.15K	-537.518597
HF Energy	-537.514886
Nuclear repulsion energy	94.422375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	2980	6.66
2	A'	3256	2949	20.34
3	A'	1619	1466	1.08
4	A'	1576	1427	1.05
5	A'	1380	1249	31.43
6	A'	1126	1020	8.23
7	A'	699	633	116.14
8	A'	612	554	1.94
9	A'	329	298	11.52
10	A"	3402	3080	8.65
11	A"	3320	3006	4.08
12	A"	1361	1233	0.26
13	A"	1151	1042	0.91
14	A"	829	751	0.75
15	A"	223	202	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	-1.479	0.812	0.000
C2	0.000	0.858	0.000
Cl3	0.711	-0.823	0.000
H4	-2.007	0.651	0.922
H5	-2.007	0.651	-0.922
H6	0.399	1.332	-0.883
H7	0.399	1.332	0.883

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4796	2.7329	1.0744	1.0744	2.1394	2.1394
C2	1.4796		1.8249	2.2180	2.2180	1.0785	1.0785
Cl3	2.7329	1.8249		3.2260	3.2260	2.3491	2.3491
H4	1.0744	2.2180	3.2260		1.8436	3.0837	2.5009
H5	1.0744	2.2180	3.2260	1.8436		2.5009	3.0837
H6	2.1394	1.0785	2.3491	3.0837	2.5009		1.7653
H7	2.1394	1.0785	2.3491	2.5009	3.0837	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.156	C1	C2	H6	112.566
C1	C2	H7	112.566	C2	C1	H4	119.716
C2	C1	H5	119.716	Cl3	C2	H6	105.094
Cl3	C2	H7	105.094	H4	C1	H5	118.178

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

using model chemistry: HF/6-31G(2df,p)

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	-0.290
2	C	-0.206
3	Cl	-0.203
4	H	0.166
5	H	0.166
6	H	0.183
7	H	0.183

	x	y	z	Total
	-1.069	1.953	0.000	2.226
CHELPG
AIM
ESP

	x	y	z
x	5.036	-0.859	0.000
y	-0.859	4.956	0.000
z	0.000	0.000	4.084

<r²>	73.615
(<r²>)^1/2	8.580

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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