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	hartrees
Energy at 0K	-538.480371
Energy at 298.15K	-538.483971
HF Energy	-538.480371
Nuclear repulsion energy	91.386057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3068	2.69
2	A'	3170	3033	7.65
3	A'	1544	1477	0.93
4	A'	1504	1439	9.13
5	A'	1242	1188	4.62
6	A'	1156	1106	9.55
7	A'	741	709	79.78
8	A'	422	404	46.66
9	A'	296	283	15.67
10	A"	3324	3180	6.16
11	A"	3253	3112	1.05
12	A"	1281	1225	0.06
13	A"	1060	1014	0.50
14	A"	814	779	4.24
15	A"	288	276	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-1.444	0.912	0.000
C2	0.000	0.944	0.000
Cl3	0.690	-0.910	0.000
H4	-1.994	0.821	0.929
H5	-1.994	0.821	-0.929
H6	0.457	1.344	-0.902
H7	0.457	1.344	0.902

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4441	2.8056	1.0838	1.0838	2.1481	2.1481
C2	1.4441		1.9778	2.2032	2.2032	1.0875	1.0875
Cl3	2.8056	1.9778		3.3261	3.3261	2.4388	2.4388
H4	1.0838	2.2032	3.3261		1.8589	3.1040	2.5065
H5	1.0838	2.2032	3.3261	1.8589		2.5065	3.1040
H6	2.1481	1.0875	2.4388	3.1040	2.5065		1.8036
H7	2.1481	1.0875	2.4388	2.5065	3.1040	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.156	C1	C2	H6	115.376
C1	C2	H7	115.376	C2	C1	H4	120.612
C2	C1	H5	120.612	Cl3	C2	H6	101.441
Cl3	C2	H7	101.441	H4	C1	H5	118.090

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

using model chemistry: HSEh1PBE/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	-0.233
2	C	-0.488
3	Cl	-0.118
4	H	0.186
5	H	0.186
6	H	0.234
7	H	0.234

	x	y	z	Total
	-1.384	2.584	0.000	2.932
CHELPG
AIM
ESP

	x	y	z
x	5.167	-1.629	0.000
y	-1.629	5.132	0.000
z	0.000	0.000	3.330

<r²>	77.566
(<r²>)^1/2	8.807

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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