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	hartrees
Energy at 0K	-27.902295
Energy at 298.15K	-27.906003
HF Energy	-27.902295
Nuclear repulsion energy	37.027974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	2990	18.74
2	A'	3261	2976	15.32
3	A'	1622	1480	1.17
4	A'	1572	1434	3.61
5	A'	1373	1253	24.66
6	A'	1142	1042	7.64
7	A'	691	631	94.96
8	A'	509	465	37.78
9	A'	321	293	14.95
10	A"	3397	3100	23.06
11	A"	3364	3070	1.51
12	A"	1355	1236	0.00
13	A"	1149	1048	0.86
14	A"	841	768	0.94
15	A"	264	241	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.482	0.878	0.000
C2	0.000	0.917	0.000
Cl3	0.710	-0.880	0.000
H4	-2.018	0.753	0.925
H5	-2.018	0.753	-0.925
H6	0.427	1.345	-0.891
H7	0.427	1.345	0.891

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4825	2.8103	1.0765	1.0765	2.1581	2.1581
C2	1.4825		1.9331	2.2259	2.2259	1.0765	1.0765
Cl3	2.8103	1.9331		3.3115	3.3115	2.4135	2.4135
H4	1.0765	2.2259	3.3115		1.8507	3.1028	2.5159
H5	1.0765	2.2259	3.3115	1.8507		2.5159	3.1028
H6	2.1581	1.0765	2.4135	3.1028	2.5159		1.7820
H7	2.1581	1.0765	2.4135	2.5159	3.1028	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.026	C1	C2	H6	114.039
C1	C2	H7	114.039	C2	C1	H4	120.039
C2	C1	H5	120.039	Cl3	C2	H6	102.901
Cl3	C2	H7	102.901	H4	C1	H5	118.534

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

using model chemistry: HF/CEP-121G

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	-0.173
2	C	-0.398
3	Cl	-0.136
4	H	0.153
5	H	0.153
6	H	0.200
7	H	0.200

	x	y	z	Total
	-1.358	2.681	0.000	3.005
CHELPG
AIM
ESP

	x	y	z
x	4.699	-1.384	0.000
y	-1.384	5.537	0.000
z	0.000	0.000	3.450

<r²>	56.663
(<r²>)^1/2	7.527

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

using model chemistry: HF/CEP-121G

States and conformations

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