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	hartrees
Energy at 0K	-536.160309
Energy at 298.15K	-536.163993
HF Energy	-536.160309
Nuclear repulsion energy	93.333184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3024	1.32
2	A'	3114	2949	5.14
3	A'	1535	1454	3.40
4	A'	1505	1425	5.90
5	A'	1294	1225	7.72
6	A'	1078	1021	8.59
7	A'	654	620	82.30
8	A'	527	499	44.18
9	A'	317	301	15.24
10	A"	3304	3129	1.55
11	A"	3175	3008	0.22
12	A"	1303	1234	0.16
13	A"	1084	1027	0.51
14	A"	790	749	4.35
15	A"	307	291	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.470	0.828	0.000
C2	0.000	0.890	0.000
Cl3	0.706	-0.846	0.000
H4	-2.003	0.689	0.931
H5	-2.003	0.689	-0.931
H6	0.414	1.349	-0.896
H7	0.414	1.349	0.896

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4716	2.7456	1.0816	1.0816	2.1502	2.1502
C2	1.4716		1.8743	2.2182	2.2182	1.0886	1.0886
Cl3	2.7456	1.8743		3.2504	3.2504	2.3892	2.3892
H4	1.0816	2.2182	3.2504		1.8615	3.1008	2.5056
H5	1.0816	2.2182	3.2504	1.8615		2.5056	3.1008
H6	2.1502	1.0886	2.3892	3.1008	2.5056		1.7926
H7	2.1502	1.0886	2.3892	2.5056	3.1008	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.704	C1	C2	H6	113.412
C1	C2	H7	113.412	C2	C1	H4	119.867
C2	C1	H5	119.867	Cl3	C2	H6	104.333
Cl3	C2	H7	104.333	H4	C1	H5	118.755

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

using model chemistry: M06-2X/3-21G*

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	-0.320
2	C	-0.544
3	Cl	-0.100
4	H	0.219
5	H	0.219
6	H	0.263
7	H	0.263

	x	y	z	Total
	-1.162	2.011	0.000	2.322
CHELPG
AIM
ESP

	x	y	z
x	4.796	-1.178	0.000
y	-1.178	4.554	0.000
z	0.000	0.000	3.438

<r²>	74.784
(<r²>)^1/2	8.648

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

using model chemistry: M06-2X/3-21G*

States and conformations

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