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	hartrees
Energy at 0K	-27.945374
Energy at 298.15K	-27.949091
HF Energy	-27.945374
Nuclear repulsion energy	37.540241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3331	2991	12.17
2	A'	3321	2982	45.24
3	A'	1630	1464	0.69
4	A'	1574	1413	0.52
5	A'	1394	1251	49.81
6	A'	1139	1023	7.86
7	A'	719	645	146.30
8	A'	627	563	3.37
9	A'	326	292	14.00
10	A"	3440	3089	35.15
11	A"	3390	3045	11.19
12	A"	1357	1219	0.00
13	A"	1150	1033	1.06
14	A"	821	737	0.66
15	A"	230	206	3.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.499	0.805	0.000
C2	0.000	0.867	0.000
Cl3	0.721	-0.821	0.000
H4	-2.023	0.617	0.928
H5	-2.023	0.617	-0.928
H6	0.392	1.347	-0.888
H7	0.392	1.347	0.888

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5000	2.7512	1.0820	1.0820	2.1586	2.1586
C2	1.5000		1.8354	2.2396	2.2396	1.0833	1.0833
Cl3	2.7512	1.8354		3.2337	3.2337	2.3658	2.3658
H4	1.0820	2.2396	3.2337		1.8551	3.1089	2.5238
H5	1.0820	2.2396	3.2337	1.8551		2.5238	3.1089
H6	2.1586	1.0833	2.3658	3.1089	2.5238		1.7768
H7	2.1586	1.0833	2.3658	2.5238	3.1089	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.746	C1	C2	H6	112.352
C1	C2	H7	112.352	C2	C1	H4	119.436
C2	C1	H5	119.436	Cl3	C2	H6	105.378
Cl3	C2	H7	105.378	H4	C1	H5	118.023

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	-0.337
2	C	-0.098
3	Cl	-0.224
4	H	0.175
5	H	0.175
6	H	0.155
7	H	0.155

	x	y	z	Total
	-1.111	1.950	0.000	2.244
CHELPG
AIM
ESP

	x	y	z
x	4.540	-1.026	0.000
y	-1.026	4.825	0.000
z	0.000	0.000	3.227

<r²>	54.837
(<r²>)^1/2	7.405

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)