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	hartrees
Energy at 0K	-537.993803
Energy at 298.15K	-537.997375
HF Energy	-537.536294
Nuclear repulsion energy	94.053593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3236	3121	7.02
2	A	3138	3027	11.67
3	A	3099	2989	13.53
4	A	3019	2912	16.80
5	A	1475	1423	2.25
6	A	1460	1408	7.61
7	A	1407	1357	5.41
8	A	1308	1261	41.12
9	A	1128	1088	2.88
10	A	1040	1003	15.03
11	A	1003	968	0.37
12	A	739	713	25.19
13	A	449	433	23.95
14	A	332	320	2.68
15	A	173	167	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.615	-0.089
C2	1.656	-0.272	0.012
Cl3	-1.119	-0.130	0.007
H4	0.460	1.661	0.222
H5	1.592	-1.103	-0.711
H6	2.567	0.312	-0.197
H7	1.751	-0.712	1.024

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4983	1.7410	1.0920	2.1533	2.1391	2.1649
C2	1.4983		2.7778	2.2830	1.1029	1.1026	1.1080
Cl3	1.7410	2.7778		2.3977	2.9680	3.7176	3.0997
H4	1.0920	2.2830	2.3977		3.1295	2.5365	2.8186
H5	2.1533	1.1029	2.9680	3.1295		1.7938	1.7855
H6	2.1391	1.1026	3.7176	2.5365	1.7938		1.7906
H7	2.1649	1.1080	3.0997	2.8186	1.7855	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.831	C1	C2	H6	109.718
C1	C2	H7	111.448	C2	C1	Cl3	117.888
C2	C1	H4	122.842	H5	C2	H6	108.844
H5	C2	H7	107.722	H6	C2	H7	108.192

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

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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