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	hartrees
Energy at 0K	-538.039617
Energy at 298.15K	-538.043159
HF Energy	-537.518576
Nuclear repulsion energy	94.789413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3267	3095	4.91
2	A	3171	3004	8.40
3	A	3130	2965	10.87
4	A	3052	2892	13.14
5	A	1515	1435	2.31
6	A	1499	1420	7.03
7	A	1439	1363	4.06
8	A	1324	1255	39.40
9	A	1135	1075	2.91
10	A	1056	1001	16.39
11	A	1022	969	0.80
12	A	753	713	22.65
13	A	430	407	23.83
14	A	330	313	4.11
15	A	163	155	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.606	-0.078
C2	1.648	-0.267	0.010
Cl3	-1.111	-0.130	0.006
H4	0.454	1.651	0.197
H5	1.580	-1.099	-0.695
H6	2.544	0.313	-0.218
H7	1.767	-0.696	1.014

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4903	1.7225	1.0807	2.1403	2.1255	2.1542
C2	1.4903		2.7626	2.2674	1.0928	1.0923	1.0978
Cl3	1.7225	2.7626		2.3789	2.9456	3.6893	3.1020
H4	1.0807	2.2674	2.3789		3.1031	2.5161	2.8109
H5	2.1403	1.0928	2.9456	3.1031		1.7758	1.7660
H6	2.1255	1.0923	3.6893	2.5161	1.7758		1.7717
H7	2.1542	1.0978	3.1020	2.8109	1.7660	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.972	C1	C2	H6	109.814
C1	C2	H7	111.787	C2	C1	Cl3	118.420
C2	C1	H4	122.951	H5	C2	H6	108.717
H5	C2	H7	107.448	H6	C2	H7	107.992

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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