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	hartrees
Energy at 0K	-535.300513
Energy at 298.15K	-535.304101
HF Energy	-534.989535
Nuclear repulsion energy	94.076540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3101	6.44
2	A	3167	3002	7.64
3	A	3129	2967	10.35
4	A	3058	2899	9.55
5	A	1591	1508	4.13
6	A	1573	1492	9.65
7	A	1499	1421	7.39
8	A	1372	1301	36.94
9	A	1140	1081	4.63
10	A	1086	1030	2.83
11	A	1057	1002	21.84
12	A	720	682	30.22
13	A	445	422	33.30
14	A	344	326	4.60
15	A	174	165	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.451	0.614	-0.082
C2	1.661	-0.273	0.012
Cl3	-1.121	-0.130	0.007
H4	0.469	1.655	0.208
H5	1.584	-1.101	-0.701
H6	2.558	0.310	-0.218
H7	1.774	-0.702	1.017

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5029	1.7408	1.0811	2.1467	2.1337	2.1654
C2	1.5029		2.7850	2.2752	1.0949	1.0946	1.0994
Cl3	1.7408	2.7850		2.3988	2.9598	3.7120	3.1187
H4	1.0811	2.2752	2.3988		3.1090	2.5214	2.8132
H5	2.1467	1.0949	2.9598	3.1090		1.7809	1.7743
H6	2.1337	1.0946	3.7120	2.5214	1.7809		1.7793
H7	2.1654	1.0994	3.1187	2.8132	1.7743	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.470	C1	C2	H6	109.459
C1	C2	H7	111.693	C2	C1	Cl3	118.132
C2	C1	H4	122.568	H5	C2	H6	108.857
H5	C2	H7	107.913	H6	C2	H7	108.378

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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