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	hartrees
Energy at 0K	-537.980469
Energy at 298.15K	-537.984035
HF Energy	-537.530730
Nuclear repulsion energy	94.202432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3238	8.62
2	A	3162	3162	11.19
3	A	3118	3118	15.40
4	A	3034	3034	19.83
5	A	1484	1484	2.12
6	A	1469	1469	7.23
7	A	1417	1417	4.22
8	A	1311	1311	40.98
9	A	1134	1134	2.98
10	A	1048	1048	15.23
11	A	1009	1009	0.59
12	A	749	749	24.46
13	A	442	442	25.87
14	A	332	332	3.37
15	A	172	172	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.448	0.610	-0.084
C2	1.655	-0.270	0.011
Cl3	-1.117	-0.130	0.007
H4	0.464	1.664	0.210
H5	1.584	-1.113	-0.698
H6	2.562	0.313	-0.221
H7	1.772	-0.698	1.027

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4964	1.7335	1.0939	2.1534	2.1392	2.1675
C2	1.4964		2.7755	2.2794	1.1037	1.1032	1.1090
Cl3	1.7335	2.7755		2.3994	2.9601	3.7129	3.1166
H4	1.0939	2.2794	2.3994		3.1286	2.5320	2.8207
H5	2.1534	1.1037	2.9601	3.1286		1.7937	1.7842
H6	2.1392	1.1032	3.7129	2.5320	1.7937		1.7901
H7	2.1675	1.1090	3.1166	2.8207	1.7842	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.924	C1	C2	H6	109.832
C1	C2	H7	111.737	C2	C1	Cl3	118.295
C2	C1	H4	122.518	H5	C2	H6	108.735
H5	C2	H7	107.477	H6	C2	H7	108.029

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

using model chemistry: CCSD=FULL/cc-pVDZ

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: CCSD=FULL/cc-pVDZ

States and conformations

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