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	hartrees
Energy at 0K	-538.691680
Energy at 298.15K	-538.695139
HF Energy	-538.691680
Nuclear repulsion energy	91.433787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	3069	3.78
2	A'	3050	3026	10.31
3	A'	1482	1470	0.06
4	A'	1441	1430	2.80
5	A'	1172	1163	8.34
6	A'	1094	1085	8.67
7	A'	693	688	57.26
8	A'	384	381	48.24
9	A'	277	275	19.95
10	A"	3198	3173	7.99
11	A"	3120	3096	3.08
12	A"	1220	1210	0.11
13	A"	1008	1000	0.59
14	A"	771	765	1.96
15	A"	278	276	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.453	0.902	0.000
C2	0.000	0.933	0.000
Cl3	0.696	-0.900	0.000
H4	-2.007	0.795	0.935
H5	-2.007	0.795	-0.935
H6	0.453	1.350	-0.906
H7	0.453	1.350	0.906

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4538	2.8044	1.0913	1.0913	2.1576	2.1576
C2	1.4538		1.9606	2.2179	2.2179	1.0951	1.0951
Cl3	2.8044	1.9606		3.3241	3.3241	2.4374	2.4374
H4	1.0913	2.2179	3.3241		1.8695	3.1215	2.5213
H5	1.0913	2.2179	3.3241	1.8695		2.5213	3.1215
H6	2.1576	1.0951	2.4374	3.1215	2.5213		1.8115
H7	2.1576	1.0951	2.4374	2.5213	3.1215	1.8115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.547	C1	C2	H6	114.943
C1	C2	H7	114.943	C2	C1	H4	120.584
C2	C1	H5	120.584	Cl3	C2	H6	102.065
Cl3	C2	H7	102.065	H4	C1	H5	117.858

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

using model chemistry: BLYP/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	-0.137
2	C	-0.250
3	Cl	-0.154
4	H	0.118
5	H	0.118
6	H	0.153
7	H	0.153

	x	y	z	Total
	-1.233	2.233	0.000	2.551
CHELPG
AIM
ESP

	x	y	z
x	5.816	-1.607	0.000
y	-1.607	5.323	0.000
z	0.000	0.000	3.807

<r²>	77.330
(<r²>)^1/2	8.794

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

using model chemistry: BLYP/6-31G**

States and conformations

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