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	hartrees
Energy at 0K	-537.155968
Energy at 298.15K	-537.159473
HF Energy	-537.155968
Nuclear repulsion energy	94.059452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	3055	1.44
2	A'	3039	2993	6.43
3	A'	1444	1423	1.07
4	A'	1399	1378	11.34
5	A'	1188	1170	8.78
6	A'	1131	1114	8.32
7	A'	693	683	92.37
8	A'	525	517	34.54
9	A'	282	278	18.52
10	A"	3212	3164	1.10
11	A"	3110	3063	0.33
12	A"	1199	1181	0.04
13	A"	1021	1006	0.81
14	A"	763	752	3.43
15	A"	215	212	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.442	0.817	0.000
C2	0.000	0.886	0.000
Cl3	0.693	-0.840	0.000
H4	-1.991	0.690	0.938
H5	-1.991	0.690	-0.938
H6	0.425	1.348	-0.903
H7	0.425	1.348	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4438	2.7030	1.0942	1.0942	2.1407	2.1407
C2	1.4438		1.8601	2.2098	2.2098	1.0998	1.0998
Cl3	2.7030	1.8601		3.2293	3.2293	2.3826	2.3826
H4	1.0942	2.2098	3.2293		1.8759	3.1078	2.5041
H5	1.0942	2.2098	3.2293	1.8759		2.5041	3.1078
H6	2.1407	1.0998	2.3826	3.1078	2.5041		1.8061
H7	2.1407	1.0998	2.3826	2.5041	3.1078	1.8061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.145	C1	C2	H6	113.933
C1	C2	H7	113.933	C2	C1	H4	120.447
C2	C1	H5	120.447	Cl3	C2	H6	104.252
Cl3	C2	H7	104.252	H4	C1	H5	118.005

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

using model chemistry: LSDA/6-31+G**

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	-0.260
2	C	-0.574
3	Cl	-0.030
4	H	0.191
5	H	0.191
6	H	0.240
7	H	0.240

	x	y	z	Total
	-0.943	1.854	0.000	2.080
CHELPG
AIM
ESP

	x	y	z
x	6.828	-1.501	0.000
y	-1.501	6.261	0.000
z	0.000	0.000	4.583

<r²>	73.927
(<r²>)^1/2	8.598

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

using model chemistry: LSDA/6-31+G**

States and conformations

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