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	hartrees
Energy at 0K	-538.535038
Energy at 298.15K	-538.538656
HF Energy	-538.405977
Nuclear repulsion energy	93.667783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3183	5.15
2	A'	3134	3134	16.86
3	A'	1528	1528	0.69
4	A'	1493	1493	5.20
5	A'	1297	1297	19.96
6	A'	1107	1107	9.05
7	A'	677	677	100.35
8	A'	556	556	26.64
9	A'	305	305	13.63
10	A"	3294	3294	8.12
11	A"	3200	3200	4.55
12	A"	1290	1290	0.01
13	A"	1095	1095	2.54
14	A"	799	799	2.40
15	A"	234	234	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.463	0.836	0.000
C2	0.000	0.879	0.000
Cl3	0.703	-0.846	0.000
H4	-2.005	0.709	0.927
H5	-2.005	0.709	-0.927
H6	0.416	1.339	-0.891
H7	0.416	1.339	0.891

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4635	2.7428	1.0812	1.0812	2.1396	2.1396
C2	1.4635		1.8626	2.2152	2.2152	1.0861	1.0861
Cl3	2.7428	1.8626		3.2577	3.2577	2.3772	2.3772
H4	1.0812	2.2152	3.2577		1.8539	3.0925	2.5016
H5	1.0812	2.2152	3.2577	1.8539		2.5016	3.0925
H6	2.1396	1.0861	2.3772	3.0925	2.5016		1.7830
H7	2.1396	1.0861	2.3772	2.5016	3.0925	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.528	C1	C2	H6	113.278
C1	C2	H7	113.278	C2	C1	H4	120.290
C2	C1	H5	120.290	Cl3	C2	H6	104.341
Cl3	C2	H7	104.341	H4	C1	H5	118.038

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

using model chemistry: B2PLYP/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	-0.372
2	C	-0.508
3	Cl	-0.122
4	H	0.234
5	H	0.234
6	H	0.267
7	H	0.267

	x	y	z	Total
	-1.111	1.983	0.000	2.273
CHELPG
AIM
ESP

	x	y	z
x	5.339	-1.338	0.000
y	-1.338	5.313	0.000
z	0.000	0.000	3.691

<r²>	74.848
(<r²>)^1/2	8.651

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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