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	hartrees
Energy at 0K	-538.109312
Energy at 298.15K	-538.112822
HF Energy	-537.562263
Nuclear repulsion energy	95.162188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3054	4.70
2	A	3138	2959	11.39
3	A	3094	2918	12.23
4	A	3021	2849	16.78
5	A	1509	1423	2.93
6	A	1493	1408	8.25
7	A	1436	1354	4.91
8	A	1326	1250	36.93
9	A	1133	1068	2.67
10	A	1060	999	14.38
11	A	1017	960	0.59
12	A	759	716	20.97
13	A	395	372	19.58
14	A	325	307	9.58
15	A	162	153	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.438	0.602	-0.069
C2	1.643	-0.265	0.009
Cl3	-1.107	-0.130	0.006
H4	0.451	1.654	0.172
H5	1.591	-1.074	-0.722
H6	2.539	0.324	-0.186
H7	1.747	-0.724	0.999

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4867	1.7112	1.0791	2.1366	2.1220	2.1477
C2	1.4867		2.7529	2.2651	1.0912	1.0901	1.0960
Cl3	1.7112	2.7529		2.3741	2.9492	3.6785	3.0793
H4	1.0791	2.2651	2.3741		3.0888	2.5008	2.8316
H5	2.1366	1.0912	2.9492	3.0888		1.7724	1.7628
H6	2.1220	1.0901	3.6785	2.5008	1.7724		1.7692
H7	2.1477	1.0960	3.0793	2.8316	1.7628	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.021	C1	C2	H6	109.924
C1	C2	H7	111.630	C2	C1	Cl3	118.657
C2	C1	H4	123.184	H5	C2	H6	108.687
H5	C2	H7	107.408	H6	C2	H7	108.059

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

using model chemistry: CCSD/6-311+G(3df,2p)

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: CCSD/6-311+G(3df,2p)

States and conformations

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