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	hartrees
Energy at 0K	-537.971200
Energy at 298.15K	-537.974770
HF Energy	-537.530662
Nuclear repulsion energy	94.091295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3099	9.10
2	A	3153	3025	11.58
3	A	3110	2984	15.98
4	A	3026	2903	20.43
5	A	1481	1421	2.06
6	A	1466	1407	7.05
7	A	1414	1356	3.89
8	A	1309	1256	40.55
9	A	1131	1085	3.08
10	A	1045	1002	15.08
11	A	1008	967	0.65
12	A	746	716	24.25
13	A	448	430	26.03
14	A	332	318	3.07
15	A	173	166	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.449	0.611	-0.086
C2	1.656	-0.270	0.011
Cl3	-1.119	-0.130	0.007
H4	0.464	1.664	0.215
H5	1.585	-1.116	-0.696
H6	2.565	0.313	-0.222
H7	1.774	-0.696	1.030

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4980	1.7362	1.0950	2.1556	2.1411	2.1701
C2	1.4980		2.7783	2.2812	1.1049	1.1044	1.1102
Cl3	1.7362	2.7783		2.4012	2.9626	3.7167	3.1196
H4	1.0950	2.2812	2.4012		3.1328	2.5357	2.8196
H5	2.1556	1.1049	2.9626	3.1328		1.7957	1.7863
H6	2.1411	1.1044	3.7167	2.5357	1.7957		1.7920
H7	2.1701	1.1102	3.1196	2.8196	1.7863	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.918	C1	C2	H6	109.798
C1	C2	H7	111.752	C2	C1	Cl3	118.230
C2	C1	H4	122.462	H5	C2	H6	108.746
H5	C2	H7	107.491	H6	C2	H7	108.029

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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