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	hartrees
Energy at 0K	-538.676581
Energy at 298.15K	-538.680204
HF Energy	-538.676581
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3204	3.54
2	A'	3170	3170	9.04
3	A'	1555	1555	1.37
4	A'	1510	1510	8.71
5	A'	1268	1268	7.03
6	A'	1141	1141	11.09
7	A'	725	725	85.29
8	A'	451	451	53.86
9	A'	303	303	14.86
10	A"	3322	3322	7.08
11	A"	3252	3252	1.48
12	A"	1290	1290	0.06
13	A"	1079	1079	0.51
14	A"	826	826	3.81
15	A"	277	277	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-1.450	0.898	0.000
C2	0.000	0.935	0.000
Cl3	0.694	-0.900	0.000
H4	-1.997	0.805	0.931
H5	-1.997	0.805	-0.931
H6	0.449	1.347	-0.901
H7	0.449	1.347	0.901

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4504	2.7983	1.0839	1.0839	2.1487	2.1487
C2	1.4504		1.9616	2.2074	2.2074	1.0873	1.0873
Cl3	2.7983	1.9616		3.3192	3.3192	2.4332	2.4332
H4	1.0839	2.2074	3.3192		1.8618	3.1032	2.5052
H5	1.0839	2.2074	3.3192	1.8618		2.5052	3.1032
H6	2.1487	1.0873	2.4332	3.1032	2.5052		1.8013
H7	2.1487	1.0873	2.4332	2.5052	3.1032	1.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.280	C1	C2	H6	114.954
C1	C2	H7	114.954	C2	C1	H4	120.461
C2	C1	H5	120.461	Cl3	C2	H6	102.045
Cl3	C2	H7	102.045	H4	C1	H5	118.380

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

using model chemistry: wB97X-D/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	-0.242
2	C	-0.472
3	Cl	-0.116
4	H	0.186
5	H	0.186
6	H	0.230
7	H	0.230

	x	y	z	Total
	-1.385	2.583	0.000	2.931
CHELPG
AIM
ESP

	x	y	z
x	5.078	-1.574	0.000
y	-1.574	5.068	0.000
z	0.000	0.000	3.336

<r²>	77.175
(<r²>)^1/2	8.785

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

using model chemistry: wB97X-D/6-31G

States and conformations

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