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	hartrees
Energy at 0K	-537.539703
Energy at 298.15K	-537.543421
HF Energy	-537.539703
Nuclear repulsion energy	94.257840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	2982	8.92
2	A'	3280	2966	28.10
3	A'	1631	1475	1.01
4	A'	1586	1434	1.99
5	A'	1406	1271	38.46
6	A'	1132	1024	8.84
7	A'	695	629	134.21
8	A'	608	550	2.01
9	A'	330	298	12.77
10	A"	3406	3080	16.61
11	A"	3341	3021	7.09
12	A"	1379	1247	0.01
13	A"	1169	1058	2.47
14	A"	838	758	1.22
15	A"	226	205	2.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.478	0.820	0.000
C2	0.000	0.861	0.000
Cl3	0.711	-0.828	0.000
H4	-2.008	0.662	0.921
H5	-2.008	0.662	-0.921
H6	0.402	1.331	-0.881
H7	0.402	1.331	0.881

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4785	2.7394	1.0741	1.0741	2.1381	2.1381
C2	1.4785		1.8320	2.2180	2.2180	1.0769	1.0769
Cl3	2.7394	1.8320		3.2340	3.2340	2.3525	2.3525
H4	1.0741	2.2180	3.2340		1.8416	3.0826	2.5012
H5	1.0741	2.2180	3.2340	1.8416		2.5012	3.0826
H6	2.1381	1.0769	2.3525	3.0826	2.5012		1.7627
H7	2.1381	1.0769	2.3525	2.5012	3.0826	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.236	C1	C2	H6	112.643
C1	C2	H7	112.643	C2	C1	H4	119.828
C2	C1	H5	119.828	Cl3	C2	H6	104.958
Cl3	C2	H7	104.958	H4	C1	H5	118.020

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)

using model chemistry: HF/6-311G*

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	-0.389
2	C	-0.461
3	Cl	-0.156
4	H	0.237
5	H	0.237
6	H	0.266
7	H	0.266

	x	y	z	Total
	-1.155	2.082	0.000	2.381
CHELPG
AIM
ESP

	x	y	z
x	4.691	-1.068	0.000
y	-1.068	4.994	0.000
z	0.000	0.000	3.562

<r²>	74.227
(<r²>)^1/2	8.615

All results from a given calculation for CH2CH2Cl (2-chloroethyl radical)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)