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	hartrees
Energy at 0K	-537.949786
Energy at 298.15K	-537.953365
HF Energy	-537.511566
Nuclear repulsion energy	94.704822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3107	8.79
2	A	3188	3013	14.40
3	A	3144	2972	16.77
4	A	3063	2896	21.85
5	A	1531	1448	2.74
6	A	1510	1428	7.74
7	A	1464	1384	4.93
8	A	1358	1284	42.18
9	A	1148	1085	2.76
10	A	1074	1015	16.09
11	A	1038	981	0.74
12	A	758	717	25.37
13	A	436	413	29.21
14	A	335	317	5.03
15	A	173	164	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.603	-0.077
C2	1.651	-0.267	0.010
Cl3	-1.114	-0.129	0.006
H4	0.460	1.648	0.195
H5	1.590	-1.092	-0.701
H6	2.543	0.320	-0.213
H7	1.771	-0.701	1.010

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4905	1.7246	1.0798	2.1391	2.1211	2.1546
C2	1.4905		2.7690	2.2634	1.0914	1.0907	1.0965
Cl3	1.7246	2.7690		2.3819	2.9563	3.6909	3.1078
H4	1.0798	2.2634	2.3819		3.0968	2.5033	2.8113
H5	2.1391	1.0914	2.9563	3.0968		1.7728	1.7650
H6	2.1211	1.0907	3.6909	2.5033	1.7728		1.7707
H7	2.1546	1.0965	3.1078	2.8113	1.7650	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.954	C1	C2	H6	109.552
C1	C2	H7	111.893	C2	C1	Cl3	118.738
C2	C1	H4	122.625	H5	C2	H6	108.671
H5	C2	H7	107.559	H6	C2	H7	108.108

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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