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	hartrees
Energy at 0K	-535.997724
Energy at 298.15K	-536.001326
HF Energy	-535.997724
Nuclear repulsion energy	93.310046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3063	2.57
2	A'	3141	3015	7.59
3	A'	1540	1478	4.79
4	A'	1502	1442	6.13
5	A'	1278	1226	5.29
6	A'	1095	1051	7.67
7	A'	672	645	92.21
8	A'	515	494	35.84
9	A'	312	299	15.75
10	A"	3305	3172	3.43
11	A"	3208	3079	0.73
12	A"	1298	1246	0.18
13	A"	1085	1041	0.62
14	A"	810	777	5.28
15	A"	241	232	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.461	0.832	0.000
C2	0.000	0.895	0.000
Cl3	0.701	-0.851	0.000
H4	-1.999	0.703	0.932
H5	-1.999	0.703	-0.932
H6	0.419	1.349	-0.898
H7	0.419	1.349	0.898

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4625	2.7400	1.0835	1.0835	2.1472	2.1472
C2	1.4625		1.8821	2.2135	2.2135	1.0899	1.0899
Cl3	2.7400	1.8821		3.2519	3.2519	2.3933	2.3933
H4	1.0835	2.2135	3.2519		1.8641	3.1003	2.5029
H5	1.0835	2.2135	3.2519	1.8641		2.5029	3.1003
H6	2.1472	1.0899	2.3933	3.1003	2.5029		1.7954
H7	2.1472	1.0899	2.3933	2.5029	3.1003	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.374	C1	C2	H6	113.743
C1	C2	H7	113.743	C2	C1	H4	120.046
C2	C1	H5	120.046	Cl3	C2	H6	104.070
Cl3	C2	H7	104.070	H4	C1	H5	118.686

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.352
2	C	-0.584
3	Cl	-0.090
4	H	0.234
5	H	0.234
6	H	0.279
7	H	0.279

	x	y	z	Total
	-1.132	2.017	0.000	2.313
CHELPG
AIM
ESP

	x	y	z
x	4.920	-1.214	0.000
y	-1.214	4.573	0.000
z	0.000	0.000	3.450

<r²>	74.681
(<r²>)^1/2	8.642

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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