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	hartrees
Energy at 0K	-538.487194
Energy at 298.15K	-538.490701
HF Energy	-538.487194
Nuclear repulsion energy	92.824698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3087	3059	3.56
2	A'	3037	3009	11.84
3	A'	1451	1438	0.76
4	A'	1413	1400	6.38
5	A'	1195	1184	9.51
6	A'	1097	1087	8.74
7	A'	681	675	72.72
8	A'	475	471	43.92
9	A'	287	284	15.43
10	A"	3194	3165	5.29
11	A"	3102	3074	2.57
12	A"	1213	1202	0.00
13	A"	1022	1013	1.97
14	A"	765	758	3.00
15	A"	235	233	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.455	0.859	0.000
C2	0.000	0.899	0.000
Cl3	0.698	-0.867	0.000
H4	-2.006	0.753	0.935
H5	-2.006	0.753	-0.935
H6	0.436	1.340	-0.903
H7	0.436	1.340	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4554	2.7596	1.0906	1.0906	2.1499	2.1499
C2	1.4554		1.8986	2.2177	2.2177	1.0955	1.0955
Cl3	2.7596	1.8986		3.2876	3.2876	2.3990	2.3990
H4	1.0906	2.2177	3.2876		1.8708	3.1121	2.5114
H5	1.0906	2.2177	3.2876	1.8708		2.5114	3.1121
H6	2.1499	1.0955	2.3990	3.1121	2.5114		1.8056
H7	2.1499	1.0955	2.3990	2.5114	3.1121	1.8056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.026	C1	C2	H6	114.129
C1	C2	H7	114.129	C2	C1	H4	120.486
C2	C1	H5	120.486	Cl3	C2	H6	103.206
Cl3	C2	H7	103.206	H4	C1	H5	118.110

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

using model chemistry: PBEPBE/6-311G**

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	-0.178
2	C	-0.369
3	Cl	-0.132
4	H	0.145
5	H	0.145
6	H	0.195
7	H	0.195

	x	y	z	Total
	-1.145	2.047	0.000	2.346
CHELPG
AIM
ESP

	x	y	z
x	6.004	-1.610	0.000
y	-1.610	5.706	0.000
z	0.000	0.000	3.875

<r²>	75.771
(<r²>)^1/2	8.705

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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