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	hartrees
Energy at 0K	-538.117215
Energy at 298.15K	-538.120749
HF Energy	-537.570158
Nuclear repulsion energy	95.023230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	3043	5.66
2	A	3149	2941	10.66
3	A	3108	2902	12.56
4	A	3034	2833	16.34
5	A	1507	1407	2.49
6	A	1491	1392	7.93
7	A	1432	1337	5.49
8	A	1330	1242	39.11
9	A	1137	1061	2.69
10	A	1059	989	15.47
11	A	1021	953	0.57
12	A	754	704	23.17
13	A	411	383	23.55
14	A	328	307	6.14
15	A	164	153	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.443	0.604	-0.072
C2	1.644	-0.267	0.009
Cl3	-1.109	-0.129	0.006
H4	0.457	1.650	0.181
H5	1.583	-1.084	-0.709
H6	2.540	0.316	-0.200
H7	1.753	-0.711	1.004

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4858	1.7183	1.0769	2.1338	2.1209	2.1458
C2	1.4858		2.7570	2.2615	1.0899	1.0891	1.0947
Cl3	1.7183	2.7570		2.3770	2.9447	3.6824	3.0867
H4	1.0769	2.2615	2.3770		3.0882	2.5033	2.8167
H5	2.1338	1.0899	2.9447	3.0882		1.7707	1.7612
H6	2.1209	1.0891	3.6824	2.5033	1.7707		1.7675
H7	2.1458	1.0947	3.0867	2.8167	1.7612	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.942	C1	C2	H6	109.951
C1	C2	H7	111.617	C2	C1	Cl3	118.553
C2	C1	H4	123.079	H5	C2	H6	108.708
H5	C2	H7	107.448	H6	C2	H7	108.066

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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