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	hartrees
Energy at 0K	-538.003575
Energy at 298.15K	-538.007225
HF Energy	-537.554131
Nuclear repulsion energy	94.704023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3074	8.55
2	A	3181	2975	12.54
3	A	3140	2937	14.69
4	A	3063	2864	17.70
5	A	1512	1414	2.49
6	A	1491	1395	8.88
7	A	1454	1359	5.53
8	A	1351	1264	41.98
9	A	1144	1070	2.93
10	A	1065	996	18.02
11	A	1040	972	0.71
12	A	750	702	27.92
13	A	479	448	26.69
14	A	343	321	2.32
15	A	188	176	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.608	-0.087
C2	1.646	-0.270	0.012
Cl3	-1.114	-0.128	0.007
H4	0.468	1.641	0.220
H5	1.576	-1.102	-0.688
H6	2.544	0.304	-0.215
H7	1.754	-0.692	1.016

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4854	1.7329	1.0774	2.1332	2.1178	2.1452
C2	1.4854		2.7636	2.2545	1.0897	1.0894	1.0949
Cl3	1.7329	2.7636		2.3828	2.9440	3.6899	3.0923
H4	1.0774	2.2545	2.3828		3.0946	2.5071	2.7803
H5	2.1332	1.0897	2.9440	3.0946		1.7716	1.7622
H6	2.1178	1.0894	3.6899	2.5071	1.7716		1.7693
H7	2.1452	1.0949	3.0923	2.7803	1.7622	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.933	C1	C2	H6	109.712
C1	C2	H7	111.586	C2	C1	Cl3	118.140
C2	C1	H4	122.404	H5	C2	H6	108.777
H5	C2	H7	107.541	H6	C2	H7	108.196

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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