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	hartrees
Energy at 0K	-538.135765
Energy at 298.15K	-538.130514
HF Energy	-537.503602
Nuclear repulsion energy	94.459183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3380	3380	13.85
2	A	3277	3277	17.74
3	A	3243	3243	23.74
4	A	3171	3171	21.80
5	A	1620	1620	2.16
6	A	1607	1607	6.68
7	A	1548	1548	3.71
8	A	1409	1409	50.35
9	A	1186	1186	0.94
10	A	1111	1111	16.68
11	A	1098	1098	4.40
12	A	764	764	37.66
13	A	528	528	24.49
14	A	351	351	1.70
15	A	185	185	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.451	0.611	-0.096
C2	1.654	-0.270	0.013
Cl3	-1.117	-0.129	0.008
H4	0.460	1.632	0.242
H5	1.595	-1.097	-0.689
H6	2.550	0.307	-0.204
H7	1.755	-0.689	1.016

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4956	1.7372	1.0754	2.1402	2.1237	2.1507
C2	1.4956		2.7749	2.2578	1.0867	1.0873	1.0911
Cl3	1.7372	2.7749		2.3760	2.9628	3.6989	3.0947
H4	1.0754	2.2578	2.3760		3.0993	2.5147	2.7680
H5	2.1402	1.0867	2.9628	3.0993		1.7658	1.7605
H6	2.1237	1.0873	3.6989	2.5147	1.7658		1.7639
H7	2.1507	1.0911	3.0947	2.7680	1.7605	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.962	C1	C2	H6	109.603
C1	C2	H7	111.534	C2	C1	Cl3	118.075
C2	C1	H4	121.996	H5	C2	H6	108.631
H5	C2	H7	107.877	H6	C2	H7	108.138

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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