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	hartrees
Energy at 0K	-27.896788
Energy at 298.15K	-27.900475
HF Energy	-27.896788
Nuclear repulsion energy	36.916523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3010	27.44
2	A'	3330	3002	27.62
3	A'	1632	1472	1.48
4	A'	1577	1422	3.89
5	A'	1376	1241	28.76
6	A'	1155	1041	7.77
7	A'	699	630	120.20
8	A'	512	462	35.22
9	A'	320	288	15.83
10	A"	3458	3117	44.44
11	A"	3424	3087	2.27
12	A"	1352	1219	0.00
13	A"	1143	1030	1.07
14	A"	846	763	2.50
15	A"	262	236	2.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.491	0.874	0.000
C2	0.000	0.919	0.000
Cl3	0.715	-0.879	0.000
H4	-2.027	0.743	0.929
H5	-2.027	0.743	-0.929
H6	0.426	1.350	-0.894
H7	0.426	1.350	0.894

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4913	2.8169	1.0803	1.0803	2.1674	2.1674
C2	1.4913		1.9344	2.2366	2.2366	1.0799	1.0799
Cl3	2.8169	1.9344		3.3180	3.3180	2.4190	2.4190
H4	1.0803	2.2366	3.3180		1.8570	3.1154	2.5270
H5	1.0803	2.2366	3.3180	1.8570		2.5270	3.1154
H6	2.1674	1.0799	2.4190	3.1154	2.5270		1.7877
H7	2.1674	1.0799	2.4190	2.5270	3.1154	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.954	C1	C2	H6	113.945
C1	C2	H7	113.945	C2	C1	H4	120.001
C2	C1	H5	120.001	Cl3	C2	H6	103.049
Cl3	C2	H7	103.049	H4	C1	H5	118.517

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

using model chemistry: HF/CEP-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	-0.222
2	C	-0.263
3	Cl	-0.182
4	H	0.160
5	H	0.160
6	H	0.174
7	H	0.174

	x	y	z	Total
	-1.436	2.707	0.000	3.064
CHELPG
AIM
ESP

	x	y	z
x	4.277	-1.500	0.000
y	-1.500	5.303	0.000
z	0.000	0.000	2.729

<r²>	56.852
(<r²>)^1/2	7.540

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

using model chemistry: HF/CEP-31G

States and conformations

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