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	hartrees
Energy at 0K	-535.811627
Energy at 298.15K
HF Energy	-535.738384
Nuclear repulsion energy	92.061988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3271	4.32
2	A	3147	3147	5.77
3	A	3109	3109	8.18
4	A	3035	3035	8.77
5	A	1567	1567	5.01
6	A	1551	1551	11.27
7	A	1483	1483	9.64
8	A	1304	1304	53.42
9	A	1126	1126	4.47
10	A	1072	1072	5.44
11	A	1034	1034	21.00
12	A	646	646	37.94
13	A	446	446	44.31
14	A	324	324	2.78
15	A	177	177	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.517	0.638	-0.095
C2	1.675	-0.292	0.013
Cl3	-1.153	-0.126	0.007
H4	0.516	1.661	0.249
H5	1.583	-1.111	-0.705
H6	2.601	0.254	-0.190
H7	1.750	-0.734	1.017

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4885	1.8395	1.0793	2.1369	2.1208	2.1535
C2	1.4885		2.8323	2.2828	1.0934	1.0940	1.0992
Cl3	1.8395	2.8323		2.4572	2.9934	3.7781	3.1329
H4	1.0793	2.2828	2.4572		3.1196	2.5533	2.8013
H5	2.1369	1.0934	2.9934	3.1196		1.7790	1.7705
H6	2.1208	1.0940	3.7781	2.5533	1.7790		1.7763
H7	2.1535	1.0992	3.1329	2.8013	1.7705	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.788	C1	C2	H6	109.468
C1	C2	H7	111.779	C2	C1	Cl3	116.254
C2	C1	H4	124.734	H5	C2	H6	108.836
H5	C2	H7	107.709	H6	C2	H7	108.173

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

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