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	hartrees
Energy at 0K	-27.899854
Energy at 298.15K	-27.903541
HF Energy	-27.899854
Nuclear repulsion energy	37.085343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3340	3048	17.94
2	A	3257	2972	21.77
3	A	3223	2941	32.11
4	A	3136	2862	25.86
5	A	1625	1482	5.34
6	A	1608	1468	12.32
7	A	1558	1422	8.13
8	A	1379	1258	66.54
9	A	1193	1088	1.41
10	A	1122	1024	5.91
11	A	1102	1005	17.73
12	A	700	639	48.20
13	A	525	479	30.86
14	A	339	309	2.19
15	A	180	164	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.496	0.632	-0.098
C2	1.685	-0.285	0.014
Cl3	-1.150	-0.129	0.007
H4	0.491	1.648	0.256
H5	1.616	-1.098	-0.700
H6	2.591	0.278	-0.187
H7	1.765	-0.718	1.010

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5059	1.8158	1.0756	2.1477	2.1273	2.1594
C2	1.5059		2.8388	2.2847	1.0844	1.0859	1.0890
Cl3	1.8158	2.8388		2.4308	3.0154	3.7682	3.1385
H4	1.0756	2.2847	2.4308		3.1180	2.5466	2.7911
H5	2.1477	1.0844	3.0154	3.1180		1.7629	1.7583
H6	2.1273	1.0859	3.7682	2.5466	1.7629		1.7626
H7	2.1594	1.0890	3.1385	2.7911	1.7583	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.968	C1	C2	H6	109.252
C1	C2	H7	111.636	C2	C1	Cl3	117.128
C2	C1	H4	123.648	H5	C2	H6	108.633
H5	C2	H7	107.992	H6	C2	H7	108.273

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

using model chemistry: HF/CEP-121G

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	-0.126
2	C	-0.445
3	Cl	-0.116
4	H	0.178
5	H	0.176
6	H	0.163
7	H	0.170

	x	y	z	Total
	2.566	0.698	0.354	2.682
CHELPG
AIM
ESP

	x	y	z
x	6.035	0.715	-0.059
y	0.715	3.997	0.028
z	-0.059	0.028	3.013

<r²>	58.328
(<r²>)^1/2	7.637

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

using model chemistry: HF/CEP-121G

States and conformations

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