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	hartrees
Energy at 0K	-538.090917
Energy at 298.15K	-538.094497
HF Energy	-537.571299
Nuclear repulsion energy	95.355636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	3111	4.20
2	A	3168	3019	6.73
3	A	3122	2975	8.01
4	A	3039	2896	13.54
5	A	1503	1433	3.05
6	A	1488	1418	9.26
7	A	1420	1353	6.84
8	A	1320	1258	38.57
9	A	1138	1085	3.80
10	A	1055	1005	17.21
11	A	1017	969	0.58
12	A	758	722	23.99
13	A	436	416	25.92
14	A	334	318	3.74
15	A	174	166	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.442	0.606	-0.080
C2	1.634	-0.267	0.010
Cl3	-1.103	-0.129	0.007
H4	0.452	1.646	0.200
H5	1.570	-1.086	-0.706
H6	2.534	0.310	-0.195
H7	1.734	-0.710	1.007

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4809	1.7131	1.0773	2.1280	2.1165	2.1405
C2	1.4809		2.7408	2.2576	1.0896	1.0887	1.0948
Cl3	1.7131	2.7408		2.3679	2.9270	3.6692	3.0636
H4	1.0773	2.2576	2.3679		3.0884	2.5060	2.8012
H5	2.1280	1.0896	2.9270	3.0884		1.7719	1.7609
H6	2.1165	1.0887	3.6692	2.5060	1.7719		1.7679
H7	2.1405	1.0948	3.0636	2.8012	1.7609	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.836	C1	C2	H6	109.967
C1	C2	H7	111.530	C2	C1	Cl3	118.032
C2	C1	H4	123.119	H5	C2	H6	108.858
H5	C2	H7	107.429	H6	C2	H7	108.122

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

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

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