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	hartrees
Energy at 0K	-537.945489
Energy at 298.15K	-537.949082
HF Energy	-537.511581
Nuclear repulsion energy	94.795120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3302	3112	8.31
2	A	3203	3018	13.19
3	A	3161	2979	15.55
4	A	3080	2902	19.52
5	A	1536	1447	2.85
6	A	1515	1428	8.12
7	A	1470	1385	5.87
8	A	1366	1287	42.96
9	A	1153	1087	2.59
10	A	1080	1018	16.48
11	A	1041	981	0.56
12	A	765	721	25.44
13	A	441	416	28.52
14	A	337	318	4.54
15	A	174	164	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.603	-0.078
C2	1.650	-0.267	0.011
Cl3	-1.113	-0.129	0.006
H4	0.461	1.647	0.195
H5	1.588	-1.092	-0.700
H6	2.541	0.319	-0.213
H7	1.767	-0.699	1.010

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4897	1.7225	1.0790	2.1374	2.1207	2.1518
C2	1.4897		2.7666	2.2607	1.0905	1.0900	1.0954
Cl3	1.7225	2.7666		2.3802	2.9532	3.6882	3.1033
H4	1.0790	2.2607	2.3802		3.0939	2.5013	2.8060
H5	2.1374	1.0905	2.9532	3.0939		1.7716	1.7641
H6	2.1207	1.0900	3.6882	2.5013	1.7716		1.7696
H7	2.1518	1.0954	3.1033	2.8060	1.7641	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.915	C1	C2	H6	109.609
C1	C2	H7	111.782	C2	C1	Cl3	118.740
C2	C1	H4	122.503	H5	C2	H6	108.681
H5	C2	H7	107.612	H6	C2	H7	108.142

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

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

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

States and conformations

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