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	hartrees
Energy at 0K	-537.500844
Energy at 298.15K	-537.504650
HF Energy	-537.500844
Nuclear repulsion energy	94.630618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3396	2907	14.35
2	A	3284	2810	18.04
3	A	3253	2784	23.82
4	A	3191	2731	22.32
5	A	1625	1391	2.83
6	A	1614	1381	8.15
7	A	1563	1338	4.72
8	A	1426	1220	50.33
9	A	1194	1022	0.78
10	A	1123	961	9.10
11	A	1113	952	13.79
12	A	771	660	38.11
13	A	610	522	24.68
14	A	360	308	1.35
15	A	197	169	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.451	0.614	-0.108
C2	1.649	-0.271	0.015
Cl3	-1.114	-0.129	0.009
H4	0.465	1.616	0.275
H5	1.591	-1.100	-0.681
H6	2.546	0.300	-0.200
H7	1.739	-0.682	1.019

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4941	1.7370	1.0725	2.1368	2.1199	2.1463
C2	1.4941		2.7665	2.2428	1.0839	1.0848	1.0882
Cl3	1.7370	2.7665		2.3682	2.9556	3.6909	3.0770
H4	1.0725	2.2428	2.3682		3.0919	2.5078	2.7303
H5	2.1368	1.0839	2.9556	3.0919		1.7617	1.7568
H6	2.1199	1.0848	3.6909	2.5078	1.7617		1.7599
H7	2.1463	1.0882	3.0770	2.7303	1.7568	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.961	C1	C2	H6	109.548
C1	C2	H7	111.471	C2	C1	Cl3	117.590
C2	C1	H4	120.941	H5	C2	H6	108.639
H5	C2	H7	107.958	H6	C2	H7	108.174

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

using model chemistry: ROHF/6-31+G**

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	-0.114
2	C	-0.705
3	Cl	-0.047
4	H	0.226
5	H	0.219
6	H	0.207
7	H	0.214

	x	y	z	Total
	1.927	0.524	0.349	2.027
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	76.169
(<r²>)^1/2	8.727

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

using model chemistry: ROHF/6-31+G**

States and conformations

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