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	hartrees
Energy at 0K	-538.784707
Energy at 298.15K	-538.788186
HF Energy	-538.784707
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3106	4.51
2	A	3134	2998	10.91
3	A	3079	2945	12.40
4	A	3007	2877	18.85
5	A	1495	1430	4.11
6	A	1472	1408	9.60
7	A	1420	1359	6.85
8	A	1290	1234	40.03
9	A	1127	1078	3.68
10	A	1045	1000	16.54
11	A	1015	971	0.48
12	A	745	712	24.72
13	A	369	353	12.00
14	A	309	296	20.24
15	A	177	169	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.596	-0.053
C2	1.645	-0.263	0.007
Cl3	-1.111	-0.128	0.004
H4	0.452	1.658	0.131
H5	1.605	-1.055	-0.744
H6	2.538	0.335	-0.169
H7	1.753	-0.751	0.983

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4776	1.7164	1.0777	2.1331	2.1135	2.1441
C2	1.4776		2.7592	2.2649	1.0919	1.0895	1.0963
Cl3	1.7164	2.7592		2.3762	2.9657	3.6827	3.0896
H4	1.0777	2.2649	2.3762		3.0748	2.4888	2.8666
H5	2.1331	1.0919	2.9657	3.0748		1.7704	1.7601
H6	2.1135	1.0895	3.6827	2.4888	1.7704		1.7670
H7	2.1441	1.0963	3.0896	2.8666	1.7601	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.347	C1	C2	H6	109.910
C1	C2	H7	111.966	C2	C1	Cl3	119.323
C2	C1	H4	124.089	H5	C2	H6	108.504
H5	C2	H7	107.094	H6	C2	H7	107.876

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

using model chemistry: wB97X-D/aug-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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Number	Element	Mulliken
1	C	-0.342
2	C	-0.681
3	Cl	-0.157
4	H	0.353
5	H	0.294
6	H	0.244
7	H	0.288

	x	y	z	Total
	1.563	0.364	0.178	1.614
CHELPG
AIM
ESP

	x	y	z
x	7.495	0.203	-0.001
y	0.203	5.719	-0.054
z	-0.001	-0.054	5.056

<r²>	75.522
(<r²>)^1/2	8.690

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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