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	hartrees
Energy at 0K	-538.802634
Energy at 298.15K	-538.806203
HF Energy	-538.802634
Nuclear repulsion energy	92.955994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3045	5.30
2	A'	3111	3006	15.22
3	A'	1514	1463	0.88
4	A'	1475	1425	5.78
5	A'	1257	1215	15.64
6	A'	1103	1066	9.95
7	A'	685	662	84.19
8	A'	483	467	48.45
9	A'	297	287	16.29
10	A"	3257	3147	9.42
11	A"	3175	3068	3.92
12	A"	1269	1226	0.00
13	A"	1070	1034	2.44
14	A"	794	767	2.62
15	A"	249	241	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-1.455	0.864	0.000
C2	0.000	0.897	0.000
Cl3	0.698	-0.868	0.000
H4	-2.002	0.755	0.928
H5	-2.002	0.755	-0.928
H6	0.433	1.337	-0.894
H7	0.433	1.337	0.894

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4552	2.7630	1.0829	1.0829	2.1419	2.1419
C2	1.4552		1.8975	2.2114	2.2114	1.0867	1.0867
Cl3	2.7630	1.8975		3.2845	3.2845	2.3936	2.3936
H4	1.0829	2.2114	3.2845		1.8560	3.0968	2.5041
H5	1.0829	2.2114	3.2845	1.8560		2.5041	3.0968
H6	2.1419	1.0867	2.3936	3.0968	2.5041		1.7886
H7	2.1419	1.0867	2.3936	2.5041	3.0968	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.300	C1	C2	H6	114.052
C1	C2	H7	114.052	C2	C1	H4	120.509
C2	C1	H5	120.509	Cl3	C2	H6	103.290
Cl3	C2	H7	103.290	H4	C1	H5	117.950

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

using model chemistry: B3LYP/6-311G*

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	-0.350
2	C	-0.507
3	Cl	-0.137
4	H	0.229
5	H	0.229
6	H	0.268
7	H	0.268

	x	y	z	Total
	-1.198	2.143	0.000	2.456
CHELPG
AIM
ESP

	x	y	z
x	5.640	-1.534	0.000
y	-1.534	5.550	0.000
z	0.000	0.000	3.728

<r²>	75.783
(<r²>)^1/2	8.705

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

using model chemistry: B3LYP/6-311G*

States and conformations

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