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	hartrees
Energy at 0K	-538.565034
Energy at 298.15K	-538.568541
HF Energy	-538.409989
Nuclear repulsion energy	94.688184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3245	10.71
2	A	3139	3139	14.43
3	A	3092	3092	17.72
4	A	3014	3014	22.97
5	A	1518	1518	3.72
6	A	1499	1499	10.72
7	A	1443	1443	7.62
8	A	1332	1332	39.71
9	A	1135	1135	3.01
10	A	1058	1058	24.13
11	A	1025	1025	0.81
12	A	737	737	31.63
13	A	405	405	29.98
14	A	325	325	10.65
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	1.650	0.183
H5	1.599	-1.084	-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	2.1382	2.1192	2.1521
C2	1.4830		2.7685	2.2652	1.0924	1.0913	1.0981
Cl3	1.7287	2.7685		2.3789	2.9660	3.6949	3.1054
H4	1.0797	2.2652	2.3789		3.0970	2.5079	2.8285
H5	2.1382	1.0924	2.9660	3.0970		1.7715	1.7623
H6	2.1192	1.0913	3.6949	2.5079	1.7715		1.7686
H7	2.1521	1.0981	3.1054	2.8285	1.7623	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.346	C1	C2	H6	109.881
C1	C2	H7	112.120	C2	C1	Cl3	118.886
C2	C1	H4	123.470	H5	C2	H6	108.439
H5	C2	H7	107.132	H6	C2	H7	107.769

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

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

States and conformations

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