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	hartrees
Energy at 0K	-532.786722
Energy at 298.15K	-532.790196
HF Energy	-532.786722
Nuclear repulsion energy	91.992021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3027	3.03
2	A'	3343	2983	0.28
3	A'	1622	1448	1.13
4	A'	1574	1404	0.21
5	A'	1326	1184	7.28
6	A'	1133	1011	6.36
7	A'	710	633	41.20
8	A'	576	514	15.88
9	A'	305	272	9.13
10	A"	3566	3182	0.27
11	A"	3466	3093	0.16
12	A"	1332	1189	1.05
13	A"	1115	995	0.00
14	A"	818	730	1.38
15	A"	262	234	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	-1.494	0.858	0.000
C2	0.000	0.891	0.000
Cl3	0.717	-0.861	0.000
H4	-2.037	0.713	0.942
H5	-2.037	0.713	-0.942
H6	0.419	1.364	-0.907
H7	0.419	1.364	0.907

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4940	2.8008	1.0968	1.0968	2.1768	2.1768
C2	1.4940		1.8936	2.2512	2.2512	1.1055	1.1055
Cl3	2.8008	1.8936		3.3093	3.3093	2.4216	2.4216
H4	1.0968	2.2512	3.3093		1.8834	3.1424	2.5415
H5	1.0968	2.2512	3.3093	1.8834		2.5415	3.1424
H6	2.1768	1.1055	2.4216	3.1424	2.5415		1.8137
H7	2.1768	1.1055	2.4216	2.5415	3.1424	1.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.989	C1	C2	H6	112.877
C1	C2	H7	112.877	C2	C1	H4	119.881
C2	C1	H5	119.881	Cl3	C2	H6	104.618
Cl3	C2	H7	104.618	H4	C1	H5	118.311

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

using model chemistry: B3LYP/STO-3G

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	-0.106
2	C	-0.108
3	Cl	-0.181
4	H	0.086
5	H	0.086
6	H	0.111
7	H	0.111

	x	y	z	Total
	-1.142	2.052	0.000	2.349
CHELPG
AIM
ESP

	x	y	z
x	2.651	-0.952	0.000
y	-0.952	2.663	0.000
z	0.000	0.000	1.672

<r²>	75.515
(<r²>)^1/2	8.690

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

using model chemistry: B3LYP/STO-3G

States and conformations

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