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	hartrees
Energy at 0K	-538.144371
Energy at 298.15K	-538.147935
HF Energy	-537.569959
Nuclear repulsion energy	95.690981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	3130	4.60
2	A	3176	3015	7.24
3	A	3133	2975	8.72
4	A	3058	2903	14.14
5	A	1510	1434	2.83
6	A	1494	1418	9.09
7	A	1423	1351	8.35
8	A	1334	1266	37.36
9	A	1147	1089	4.36
10	A	1062	1008	18.20
11	A	1016	964	0.42
12	A	767	728	23.29
13	A	419	398	25.95
14	A	335	318	5.90
15	A	170	162	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.440	0.602	-0.072
C2	1.630	-0.265	0.009
Cl3	-1.100	-0.128	0.006
H4	0.454	1.641	0.182
H5	1.559	-1.086	-0.698
H6	2.524	0.309	-0.211
H7	1.744	-0.701	1.003

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4748	1.7063	1.0708	2.1192	2.1091	2.1335
C2	1.4748		2.7341	2.2474	1.0856	1.0847	1.0908
Cl3	1.7063	2.7341		2.3616	2.9130	3.6571	3.0676
H4	1.0708	2.2474	2.3616		3.0718	2.4937	2.7970
H5	2.1192	1.0856	2.9130	3.0718		1.7643	1.7536
H6	2.1091	1.0847	3.6571	2.4937	1.7643		1.7608
H7	2.1335	1.0908	3.0676	2.7970	1.7536	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.817	C1	C2	H6	110.047
C1	C2	H7	111.651	C2	C1	Cl3	118.339
C2	C1	H4	123.198	H5	C2	H6	108.775
H5	C2	H7	107.369	H6	C2	H7	108.074

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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