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	hartrees
Energy at 0K	-538.629197
Energy at 298.15K	-538.632648
HF Energy	-538.437182
Nuclear repulsion energy	95.115197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3119	4.37
2	A	3125	2999	10.61
3	A	3076	2952	11.69
4	A	3006	2884	19.05
5	A	1498	1437	3.05
6	A	1479	1419	8.65
7	A	1423	1365	5.33
8	A	1311	1258	39.48
9	A	1127	1082	3.77
10	A	1050	1007	16.83
11	A	1012	971	0.63
12	A	738	708	25.82
13	A	375	360	15.62
14	A	313	301	15.29
15	A	152	146	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.446	0.598	-0.062
C2	1.643	-0.264	0.008
Cl3	-1.110	-0.128	0.005
H4	0.453	1.651	0.155
H5	1.596	-1.065	-0.730
H6	2.537	0.327	-0.178
H7	1.750	-0.737	0.990

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4775	1.7183	1.0749	2.1304	2.1122	2.1426
C2	1.4775		2.7564	2.2599	1.0899	1.0882	1.0951
Cl3	1.7183	2.7564		2.3734	2.9570	3.6801	3.0855
H4	1.0749	2.2599	2.3734		3.0771	2.4912	2.8432
H5	2.1304	1.0899	2.9570	3.0771		1.7689	1.7576
H6	2.1122	1.0882	3.6801	2.4912	1.7689		1.7653
H7	2.1426	1.0951	3.0855	2.8432	1.7576	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.255	C1	C2	H6	109.893
C1	C2	H7	111.933	C2	C1	Cl3	119.008
C2	C1	H4	123.836	H5	C2	H6	108.609
H5	C2	H7	107.106	H6	C2	H7	107.908

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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