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	hartrees
Energy at 0K	-537.940268
Energy at 298.15K	-537.943866
HF Energy	-537.509809
Nuclear repulsion energy	94.810002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3307	3101	10.08
2	A	3213	3013	12.89
3	A	3173	2975	17.03
4	A	3092	2899	17.52
5	A	1548	1452	2.02
6	A	1531	1435	6.38
7	A	1475	1383	4.36
8	A	1370	1285	42.46
9	A	1157	1085	2.40
10	A	1083	1015	15.83
11	A	1047	982	0.47
12	A	768	720	24.48
13	A	448	420	25.82
14	A	338	316	3.71
15	A	174	163	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.603	-0.079
C2	1.650	-0.267	0.011
Cl3	-1.113	-0.129	0.007
H4	0.462	1.645	0.198
H5	1.584	-1.096	-0.694
H6	2.540	0.316	-0.220
H7	1.772	-0.692	1.012

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4893	1.7225	1.0786	2.1361	2.1205	2.1513
C2	1.4893		2.7665	2.2587	1.0899	1.0894	1.0946
Cl3	1.7225	2.7665		2.3797	2.9498	3.6876	3.1067
H4	1.0786	2.2587	2.3797		3.0932	2.5020	2.7996
H5	2.1361	1.0899	2.9498	3.0932		1.7703	1.7631
H6	2.1205	1.0894	3.6876	2.5020	1.7703		1.7679
H7	2.1513	1.0946	3.1067	2.7996	1.7631	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.884	C1	C2	H6	109.659
C1	C2	H7	111.821	C2	C1	Cl3	118.757
C2	C1	H4	122.374	H5	C2	H6	108.653
H5	C2	H7	107.631	H6	C2	H7	108.090

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

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

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/6-31G**

States and conformations

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