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	hartrees
Energy at 0K	-28.550073
Energy at 298.15K	-28.553476
HF Energy	-28.550073
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	3265	25.38
2	A	3173	3173	23.18
3	A	3131	3131	31.91
4	A	3042	3042	24.10
5	A	1515	1515	8.19
6	A	1490	1490	16.65
7	A	1449	1449	15.18
8	A	1285	1285	54.98
9	A	1144	1144	4.23
10	A	1047	1047	28.61
11	A	1028	1028	1.63
12	A	692	692	38.19
13	A	360	360	38.62
14	A	298	298	37.38
15	A	166	166	1.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.491	0.626	-0.065
C2	1.693	-0.283	0.009
Cl3	-1.154	-0.130	0.005
H4	0.482	1.691	0.167
H5	1.636	-1.080	-0.750
H6	2.605	0.308	-0.169
H7	1.784	-0.770	0.999

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5090	1.8112	1.0896	2.1659	2.1409	2.1801
C2	1.5090		2.8508	2.3209	1.1022	1.1017	1.1066
Cl3	1.8112	2.8508		2.4529	3.0420	3.7885	3.1668
H4	1.0896	2.3209	2.4529		3.1381	2.5559	2.9056
H5	2.1659	1.1022	3.0420	3.1381		1.7899	1.7824
H6	2.1409	1.1017	3.7885	2.5559	1.7899		1.7892
H7	2.1801	1.1066	3.1668	2.9056	1.7824	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.122	C1	C2	H6	109.184
C1	C2	H7	111.996	C2	C1	Cl3	118.038
C2	C1	H4	125.771	H5	C2	H6	108.614
H5	C2	H7	107.590	H6	C2	H7	108.233

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

using model chemistry: wB97X-D/CEP-31G

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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Number	Element	Mulliken
1	C	-0.344
2	C	-0.315
3	Cl	-0.064
4	H	0.245
5	H	0.169
6	H	0.148
7	H	0.160

	x	y	z	Total
	2.275	0.496	0.371	2.358
CHELPG
AIM
ESP

	x	y	z
x	6.019	0.714	-0.013
y	0.714	3.689	-0.103
z	-0.013	-0.103	2.415

<r²>	58.418
(<r²>)^1/2	7.643

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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