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	hartrees
Energy at 0K	-537.865344
Energy at 298.15K	-537.868961
HF Energy	-537.503150
Nuclear repulsion energy	94.860309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3328	3074	8.72
2	A	3227	2981	11.41
3	A	3189	2945	14.88
4	A	3112	2874	15.97
5	A	1568	1449	3.20
6	A	1551	1433	8.62
7	A	1500	1386	7.01
8	A	1385	1280	41.20
9	A	1173	1083	1.81
10	A	1099	1015	19.28
11	A	1065	984	0.59
12	A	775	715	26.88
13	A	457	422	28.49
14	A	343	317	4.00
15	A	174	161	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.603	-0.080
C2	1.648	-0.267	0.011
Cl3	-1.112	-0.129	0.007
H4	0.459	1.644	0.201
H5	1.586	-1.093	-0.699
H6	2.541	0.318	-0.212
H7	1.764	-0.697	1.012

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4876	1.7219	1.0792	2.1359	2.1201	2.1503
C2	1.4876		2.7633	2.2588	1.0909	1.0905	1.0956
Cl3	1.7219	2.7633		2.3771	2.9508	3.6867	3.0993
H4	1.0792	2.2588	2.3771		3.0943	2.5031	2.8004
H5	2.1359	1.0909	2.9508	3.0943		1.7717	1.7646
H6	2.1201	1.0905	3.6867	2.5031	1.7717		1.7695
H7	2.1503	1.0956	3.0993	2.8004	1.7646	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.925	C1	C2	H6	109.682
C1	C2	H7	111.802	C2	C1	Cl3	118.674
C2	C1	H4	122.491	H5	C2	H6	108.624
H5	C2	H7	107.621	H6	C2	H7	108.081

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

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

States and conformations

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