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	hartrees
Energy at 0K	-92.699225
Energy at 298.15K	-92.702919
HF Energy	-92.699225
Nuclear repulsion energy	56.606217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3008	24.44
2	A'	3329	2996	17.10
3	A'	1643	1478	1.89
4	A'	1592	1433	5.88
5	A'	1379	1241	16.05
6	A'	1155	1039	8.43
7	A'	718	646	91.95
8	A'	490	441	31.58
9	A'	322	289	15.51
10	A"	3458	3112	23.72
11	A"	3426	3083	2.78
12	A"	1364	1227	0.00
13	A"	1149	1034	0.34
14	A"	860	774	2.85
15	A"	270	243	1.96

Atom	x (Å)	y (Å)	z (Å)
C1	-1.474	0.880	0.000
C2	0.000	0.922	0.000
Cl3	0.706	-0.884	0.000
H4	-2.011	0.760	0.922
H5	-2.011	0.760	-0.922
H6	0.430	1.343	-0.889
H7	0.430	1.343	0.889

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4745	2.8043	1.0736	1.0736	2.1521	2.1521
C2	1.4745		1.9392	2.2181	2.2181	1.0737	1.0737
Cl3	2.8043	1.9392		3.3068	3.3068	2.4138	2.4138
H4	1.0736	2.2181	3.3068		1.8440	3.0951	2.5101
H5	1.0736	2.2181	3.3068	1.8440		2.5101	3.0951
H6	2.1521	1.0737	2.4138	3.0951	2.5101		1.7781
H7	2.1521	1.0737	2.4138	2.5101	3.0951	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.713	C1	C2	H6	114.326
C1	C2	H7	114.326	C2	C1	H4	120.203
C2	C1	H5	120.203	Cl3	C2	H6	102.660
Cl3	C2	H7	102.660	H4	C1	H5	118.353

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

using model chemistry: HF/LANL2DZ

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	-0.281
2	C	-0.392
3	Cl	-0.181
4	H	0.192
5	H	0.192
6	H	0.235
7	H	0.235

	x	y	z	Total
	-1.378	2.713	0.000	3.043
CHELPG
AIM
ESP

	x	y	z
x	4.029	-1.371	0.000
y	-1.371	4.962	0.000
z	0.000	0.000	2.859

<r²>	63.985
(<r²>)^1/2	7.999

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

using model chemistry: HF/LANL2DZ

States and conformations

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