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	hartrees
Energy at 0K	-537.944151
Energy at 298.15K	-537.947735
HF Energy	-537.509794
Nuclear repulsion energy	94.729379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3292	3099	10.47
2	A	3197	3010	14.25
3	A	3155	2970	18.60
4	A	3074	2894	19.91
5	A	1544	1453	1.90
6	A	1526	1436	6.07
7	A	1469	1383	3.50
8	A	1362	1282	41.89
9	A	1152	1084	2.49
10	A	1077	1014	15.39
11	A	1044	983	0.62
12	A	761	717	24.52
13	A	442	416	26.14
14	A	335	316	4.09
15	A	173	163	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.603	-0.078
C2	1.651	-0.267	0.011
Cl3	-1.114	-0.129	0.007
H4	0.461	1.647	0.197
H5	1.586	-1.097	-0.694
H6	2.542	0.317	-0.221
H7	1.776	-0.693	1.012

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4899	1.7244	1.0794	2.1378	2.1210	2.1541
C2	1.4899		2.7686	2.2611	1.0907	1.0901	1.0957
Cl3	1.7244	2.7686		2.3812	2.9523	3.6900	3.1113
H4	1.0794	2.2611	2.3812		3.0960	2.5041	2.8046
H5	2.1378	1.0907	2.9523	3.0960		1.7715	1.7640
H6	2.1210	1.0901	3.6900	2.5041	1.7715		1.7689
H7	2.1541	1.0957	3.1113	2.8046	1.7640	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.927	C1	C2	H6	109.614
C1	C2	H7	111.936	C2	C1	Cl3	118.757
C2	C1	H4	122.495	H5	C2	H6	108.641
H5	C2	H7	107.568	H6	C2	H7	108.046

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

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

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/6-31G**

States and conformations

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