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	hartrees
Energy at 0K	-538.184417
Energy at 298.15K	-538.187929
HF Energy	-537.570096
Nuclear repulsion energy	95.322686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3105	5.19
2	A	3141	2978	11.64
3	A	3102	2941	12.59
4	A	3036	2879	18.07
5	A	1516	1437	2.55
6	A	1500	1422	7.92
7	A	1437	1362	5.65
8	A	1335	1266	37.87
9	A	1142	1083	2.97
10	A	1064	1008	15.12
11	A	1022	969	0.44
12	A	757	717	22.28
13	A	397	376	21.35
14	A	326	309	9.21
15	A	158	150	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.443	0.601	-0.066
C2	1.639	-0.266	0.009
Cl3	-1.106	-0.128	0.005
H4	0.456	1.646	0.166
H5	1.572	-1.083	-0.705
H6	2.531	0.315	-0.210
H7	1.757	-0.707	1.001

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4795	1.7134	1.0712	2.1253	2.1128	2.1390
C2	1.4795		2.7492	2.2541	1.0869	1.0860	1.0919
Cl3	1.7134	2.7492		2.3699	2.9303	3.6705	3.0861
H4	1.0712	2.2541	2.3699		3.0742	2.4941	2.8152
H5	2.1253	1.0869	2.9303	3.0742		1.7656	1.7564
H6	2.1128	1.0860	3.6705	2.4941	1.7656		1.7630
H7	2.1390	1.0919	3.0861	2.8152	1.7564	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.887	C1	C2	H6	109.939
C1	C2	H7	111.689	C2	C1	Cl3	118.685
C2	C1	H4	123.402	H5	C2	H6	108.693
H5	C2	H7	107.437	H6	C2	H7	108.088

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

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