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	hartrees
Energy at 0K	-538.638873
Energy at 298.15K	-538.642499
HF Energy	-538.638873
Nuclear repulsion energy	91.672178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3202	1.28
2	A'	3171	3171	5.45
3	A'	1545	1545	0.85
4	A'	1504	1504	9.01
5	A'	1261	1261	7.48
6	A'	1141	1141	13.06
7	A'	705	705	75.64
8	A'	445	445	61.48
9	A'	303	303	15.58
10	A"	3318	3318	4.12
11	A"	3248	3248	0.73
12	A"	1283	1283	0.04
13	A"	1068	1068	0.54
14	A"	805	805	3.57
15	A"	300	300	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.449	0.900	0.000
C2	0.000	0.935	0.000
Cl3	0.693	-0.900	0.000
H4	-1.996	0.802	0.929
H5	-1.996	0.802	-0.929
H6	0.450	1.345	-0.900
H7	0.450	1.345	0.900

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4492	2.7981	1.0821	1.0821	2.1475	2.1475
C2	1.4492		1.9616	2.2052	2.2052	1.0864	1.0864
Cl3	2.7981	1.9616		3.3154	3.3154	2.4310	2.4310
H4	1.0821	2.2052	3.3154		1.8571	3.1013	2.5051
H5	1.0821	2.2052	3.3154	1.8571		2.5051	3.1013
H6	2.1475	1.0864	2.4310	3.1013	2.5051		1.8000
H7	2.1475	1.0864	2.4310	2.5051	3.1013	1.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.326	C1	C2	H6	115.009
C1	C2	H7	115.009	C2	C1	H4	120.498
C2	C1	H5	120.498	Cl3	C2	H6	101.936
Cl3	C2	H7	101.936	H4	C1	H5	118.204

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

using model chemistry: M06-2X/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	-0.209
2	C	-0.473
3	Cl	-0.117
4	H	0.176
5	H	0.176
6	H	0.223
7	H	0.223

	x	y	z	Total
	-1.417	2.578	0.000	2.941
CHELPG
AIM
ESP

	x	y	z
x	5.092	-1.605	0.000
y	-1.605	5.128	0.000
z	0.000	0.000	3.361

<r²>	77.237
(<r²>)^1/2	8.788

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

using model chemistry: M06-2X/6-31G

States and conformations

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