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	hartrees
Energy at 0K	-537.448674
Energy at 298.15K	-537.452378
HF Energy	-537.448674
Nuclear repulsion energy	92.307501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3343	2993	5.87
2	A'	3317	2969	14.53
3	A'	1652	1479	2.69
4	A'	1611	1442	3.90
5	A'	1394	1248	38.36
6	A'	1171	1049	13.42
7	A'	671	601	136.19
8	A'	566	507	40.91
9	A'	331	297	16.32
10	A"	3461	3099	9.06
11	A"	3394	3039	1.31
12	A"	1385	1240	0.11
13	A"	1162	1040	0.68
14	A"	862	772	2.30
15	A"	235	211	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.470	0.883	0.000
C2	0.000	0.910	0.000
Cl3	0.704	-0.879	0.000
H4	-2.004	0.755	0.920
H5	-2.004	0.755	-0.920
H6	0.430	1.338	-0.886
H7	0.430	1.338	0.886

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4700	2.7977	1.0711	1.0711	2.1452	2.1452
C2	1.4700		1.9223	2.2101	2.2101	1.0739	1.0739
Cl3	2.7977	1.9223		3.2937	3.2937	2.4034	2.4034
H4	1.0711	2.2101	3.2937		1.8394	3.0860	2.5030
H5	1.0711	2.2101	3.2937	1.8394		2.5030	3.0860
H6	2.1452	1.0739	2.4034	3.0860	2.5030		1.7716
H7	2.1452	1.0739	2.4034	2.5030	3.0860	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.415	C1	C2	H6	114.071
C1	C2	H7	114.071	C2	C1	H4	120.048
C2	C1	H5	120.048	Cl3	C2	H6	102.984
Cl3	C2	H7	102.984	H4	C1	H5	118.333

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

using model chemistry: ROHF/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	-0.250
2	C	-0.449
3	Cl	-0.135
4	H	0.185
5	H	0.185
6	H	0.232
7	H	0.232

	x	y	z	Total
	-1.418	2.744	0.000	3.089
CHELPG
AIM
ESP

<r²>	76.813
(<r²>)^1/2	8.764

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

using model chemistry: ROHF/6-31G

States and conformations

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