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	hartrees
Energy at 0K	-538.696186
Energy at 298.15K	-538.699579
HF Energy	-538.696186
Nuclear repulsion energy	93.544905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3124	9.88
2	A	3035	3012	13.83
3	A	2986	2963	17.20
4	A	2899	2877	26.67
5	A	1457	1446	1.95
6	A	1436	1425	6.32
7	A	1380	1369	2.22
8	A	1268	1258	43.63
9	A	1088	1079	4.78
10	A	1006	998	23.43
11	A	978	971	0.83
12	A	690	685	32.69
13	A	380	378	25.41
14	A	313	311	10.86
15	A	154	152	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.462	0.604	-0.071
C2	1.669	-0.268	0.009
Cl3	-1.132	-0.129	0.006
H4	0.464	1.664	0.180
H5	1.618	-1.103	-0.710
H6	2.569	0.328	-0.213
H7	1.807	-0.717	1.015

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4916	1.7555	1.0901	2.1581	2.1304	2.1757
C2	1.4916		2.8049	2.2837	1.1031	1.1021	1.1102
Cl3	1.7555	2.8049		2.4071	3.0038	3.7359	3.1625
H4	1.0901	2.2837	2.4071		3.1275	2.5240	2.8588
H5	2.1581	1.1031	3.0038	3.1275		1.7892	1.7772
H6	2.1304	1.1021	3.7359	2.5240	1.7892		1.7839
H7	2.1757	1.1102	3.1625	2.8588	1.7772	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.681	C1	C2	H6	109.531
C1	C2	H7	112.670	C2	C1	Cl3	119.280
C2	C1	H4	123.653	H5	C2	H6	108.461
H5	C2	H7	106.828	H6	C2	H7	107.486

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

using model chemistry: BLYP/6-31G**

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	-0.174
2	C	-0.286
3	Cl	-0.025
4	H	0.128
5	H	0.124
6	H	0.114
7	H	0.119

	x	y	z	Total
	1.559	0.327	0.252	1.612
CHELPG
AIM
ESP

	x	y	z
x	6.502	0.400	0.011
y	0.400	4.306	0.015
z	0.011	0.015	3.179

<r²>	77.392
(<r²>)^1/2	8.797

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

using model chemistry: BLYP/6-31G**

States and conformations

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