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	hartrees
Energy at 0K	-535.089528
Energy at 298.15K	-535.093133
HF Energy	-534.880166
Nuclear repulsion energy	91.687086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3278	3129	5.31
2	A	3167	3023	5.37
3	A	3132	2989	8.02
4	A	3061	2922	6.80
5	A	1586	1514	4.65
6	A	1571	1499	10.10
7	A	1498	1430	8.76
8	A	1330	1269	53.30
9	A	1130	1078	3.88
10	A	1091	1042	4.71
11	A	1040	992	19.51
12	A	659	629	33.39
13	A	500	478	38.05
14	A	328	313	1.87
15	A	186	177	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.519	0.640	-0.103
C2	1.684	-0.293	0.015
Cl3	-1.159	-0.126	0.008
H4	0.524	1.655	0.270
H5	1.588	-1.117	-0.699
H6	2.609	0.254	-0.196
H7	1.757	-0.725	1.023

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4978	1.8476	1.0812	2.1423	2.1279	2.1601
C2	1.4978		2.8473	2.2820	1.0943	1.0953	1.0993
Cl3	1.8476	2.8473		2.4645	3.0045	3.7923	3.1451
H4	1.0812	2.2820	2.4645		3.1240	2.5553	2.7843
H5	2.1423	1.0943	3.0045	3.1240		1.7818	1.7745
H6	2.1279	1.0953	3.7923	2.5553	1.7818		1.7800
H7	2.1601	1.0993	3.1451	2.7843	1.7745	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.513	C1	C2	H6	109.311
C1	C2	H7	111.635	C2	C1	Cl3	116.277
C2	C1	H4	123.665	H5	C2	H6	108.929
H5	C2	H7	107.982	H6	C2	H7	108.404

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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