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	hartrees
Energy at 0K	-538.565034
Energy at 298.15K
HF Energy	-538.409989
Nuclear repulsion energy	94.686810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3245	10.69
2	A	3138	3138	14.44
3	A	3092	3092	17.72
4	A	3014	3014	22.96
5	A	1518	1518	3.72
6	A	1499	1499	10.72
7	A	1443	1443	7.61
8	A	1332	1332	39.76
9	A	1135	1135	3.01
10	A	1059	1059	24.16
11	A	1025	1025	0.80
12	A	737	737	31.57
13	A	405	405	29.97
14	A	325	325	10.70
15	A	164	164	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.450	0.602	-0.073
C2	1.650	-0.266	0.010
Cl3	-1.115	-0.129	0.006
H4	0.454	1.651	0.183
H5	1.599	-1.085	-0.712
H6	2.546	0.321	-0.197
H7	1.766	-0.717	1.004

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4830	1.7287	1.0797	2.1383	2.1192	2.1521
C2	1.4830		2.7685	2.2654	1.0924	1.0913	1.0980
Cl3	1.7287	2.7685		2.3790	2.9657	3.6948	3.1059
H4	1.0797	2.2654	2.3790		3.0971	2.5081	2.8286
H5	2.1383	1.0924	2.9657	3.0971		1.7715	1.7623
H6	2.1192	1.0913	3.6948	2.5081	1.7715		1.7686
H7	2.1521	1.0980	3.1059	2.8286	1.7623	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.348	C1	C2	H6	109.878
C1	C2	H7	112.120	C2	C1	Cl3	118.884
C2	C1	H4	123.484	H5	C2	H6	108.433
H5	C2	H7	107.138	H6	C2	H7	107.770

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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: B2PLYP=FULLultrafine/6-311G*

States and conformations

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