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	hartrees
Energy at 0K	-537.923154
Energy at 298.15K	-537.926769
HF Energy	-537.541993
Nuclear repulsion energy	94.873166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3066	10.41
2	A	3204	2976	13.19
3	A	3164	2940	16.92
4	A	3088	2870	18.53
5	A	1551	1441	3.89
6	A	1534	1426	10.75
7	A	1485	1380	8.81
8	A	1373	1275	39.44
9	A	1163	1080	1.65
10	A	1089	1012	21.44
11	A	1056	981	0.57
12	A	767	713	28.29
13	A	451	419	30.59
14	A	339	315	4.58
15	A	177	165	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.605	-0.081
C2	1.647	-0.267	0.011
Cl3	-1.111	-0.129	0.007
H4	0.455	1.645	0.205
H5	1.590	-1.086	-0.705
H6	2.544	0.315	-0.197
H7	1.751	-0.707	1.008

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4881	1.7228	1.0783	2.1361	2.1223	2.1484
C2	1.4881		2.7616	2.2614	1.0897	1.0893	1.0945
Cl3	1.7228	2.7616		2.3745	2.9533	3.6876	3.0872
H4	1.0783	2.2614	2.3745		3.0947	2.5091	2.8033
H5	2.1361	1.0897	2.9533	3.0947		1.7693	1.7618
H6	2.1223	1.0893	3.6876	2.5091	1.7693		1.7675
H7	2.1484	1.0945	3.0872	2.8033	1.7618	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.977	C1	C2	H6	109.898
C1	C2	H7	111.678	C2	C1	Cl3	118.464
C2	C1	H4	122.764	H5	C2	H6	108.578
H5	C2	H7	107.525	H6	C2	H7	108.073

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)

using model chemistry: CID/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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All results from a given calculation for CHClCH3 (1-chloroethyl radical)

using model chemistry: CID/6-311G*

States and conformations

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)