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	hartrees
Energy at 0K	-28.543324
Energy at 298.15K	-28.546844
HF Energy	-28.543324
Nuclear repulsion energy	36.343835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3058	6.80
2	A'	3142	3043	23.34
3	A'	1508	1461	1.05
4	A'	1459	1413	8.92
5	A'	1214	1176	8.14
6	A'	1119	1084	9.13
7	A'	745	721	114.59
8	A'	396	384	42.18
9	A'	278	269	17.30
10	A"	3280	3176	31.80
11	A"	3230	3128	3.35
12	A"	1236	1197	0.02
13	A"	1022	990	1.26
14	A"	790	765	6.47
15	A"	285	276	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.475	0.920	0.000
C2	0.000	0.967	0.000
Cl3	0.706	-0.923	0.000
H4	-2.027	0.817	0.940
H5	-2.027	0.817	-0.940
H6	0.456	1.366	-0.913
H7	0.456	1.366	0.913

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4761	2.8554	1.0946	1.0946	2.1820	2.1820
C2	1.4761		2.0175	2.2390	2.2390	1.0955	1.0955
Cl3	2.8554	2.0175		3.3725	3.3725	2.4769	2.4769
H4	1.0946	2.2390	3.3725		1.8800	3.1459	2.5425
H5	1.0946	2.2390	3.3725	1.8800		2.5425	3.1459
H6	2.1820	1.0955	2.4769	3.1459	2.5425		1.8258
H7	2.1820	1.0955	2.4769	2.5425	3.1459	1.8258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.644	C1	C2	H6	115.301
C1	C2	H7	115.301	C2	C1	H4	120.419
C2	C1	H5	120.419	Cl3	C2	H6	101.279
Cl3	C2	H7	101.279	H4	C1	H5	118.355

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

using model chemistry: B3LYP/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	-0.274
2	C	-0.372
3	Cl	-0.165
4	H	0.196
5	H	0.196
6	H	0.210
7	H	0.210

	x	y	z	Total
	-1.472	2.616	0.000	3.002
CHELPG
AIM
ESP

	x	y	z
x	5.349	-1.905	0.000
y	-1.905	5.718	0.000
z	0.000	0.000	2.836

<r²>	57.963
(<r²>)^1/2	7.613

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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