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	hartrees
Energy at 0K	-538.512667
Energy at 298.15K	-538.516260
HF Energy	-538.512667
Nuclear repulsion energy	93.963595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3048	4.12
2	A'	3138	2984	13.78
3	A'	1524	1449	0.83
4	A'	1484	1411	4.04
5	A'	1280	1217	17.87
6	A'	1120	1065	9.02
7	A'	673	640	101.86
8	A'	577	549	17.51
9	A'	306	291	13.62
10	A"	3313	3151	5.61
11	A"	3204	3047	3.28
12	A"	1275	1213	0.08
13	A"	1082	1029	1.03
14	A"	790	751	2.60
15	A"	222	211	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.463	0.829	0.000
C2	0.000	0.869	0.000
Cl3	0.703	-0.839	0.000
H4	-2.006	0.702	0.930
H5	-2.006	0.702	-0.930
H6	0.415	1.338	-0.892
H7	0.415	1.338	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4633	2.7338	1.0845	1.0845	2.1409	2.1409
C2	1.4633		1.8467	2.2175	2.2175	1.0907	1.0907
Cl3	2.7338	1.8467		3.2528	3.2528	2.3708	2.3708
H4	1.0845	2.2175	3.2528		1.8597	3.0967	2.5041
H5	1.0845	2.2175	3.2528	1.8597		2.5041	3.0967
H6	2.1409	1.0907	2.3708	3.0967	2.5041		1.7848
H7	2.1409	1.0907	2.3708	2.5041	3.0967	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.826	C1	C2	H6	113.099
C1	C2	H7	113.099	C2	C1	H4	120.273
C2	C1	H5	120.273	Cl3	C2	H6	104.676
Cl3	C2	H7	104.676	H4	C1	H5	118.057

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	-0.301
2	C	-0.447
3	Cl	-0.097
4	H	0.193
5	H	0.193
6	H	0.229
7	H	0.229

	x	y	z	Total
	-1.077	1.937	0.000	2.216
CHELPG
AIM
ESP

	x	y	z
x	5.084	-1.124	0.000
y	-1.124	4.704	0.000
z	0.000	0.000	3.689

<r²>	73.953
(<r²>)^1/2	8.600

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)