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	hartrees
Energy at 0K	-538.734231
Energy at 298.15K	-538.737779
HF Energy	-538.734231
Nuclear repulsion energy	90.347390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3063	4.14
2	A'	3161	3041	7.79
3	A'	1552	1493	0.37
4	A'	1512	1454	6.25
5	A'	1213	1167	3.97
6	A'	1140	1097	6.35
7	A'	762	733	71.63
8	A'	353	340	41.16
9	A'	279	268	17.55
10	A"	3297	3172	9.86
11	A"	3244	3121	1.04
12	A"	1278	1229	0.05
13	A"	1034	995	0.48
14	A"	810	780	3.52
15	A"	322	310	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.441	0.938	0.000
C2	0.000	0.979	0.000
Cl3	0.687	-0.935	0.000
H4	-1.991	0.846	0.930
H5	-1.991	0.846	-0.930
H6	0.471	1.349	-0.906
H7	0.471	1.349	0.906

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4412	2.8344	1.0842	1.0842	2.1552	2.1552
C2	1.4412		2.0335	2.2011	2.2011	1.0863	1.0863
Cl3	2.8344	2.0335		3.3474	3.3474	2.4664	2.4664
H4	1.0842	2.2011	3.3474		1.8596	3.1120	2.5127
H5	1.0842	2.2011	3.3474	1.8596		2.5127	3.1120
H6	2.1552	1.0863	2.4664	3.1120	2.5127		1.8125
H7	2.1552	1.0863	2.4664	2.5127	3.1120	1.8125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.109	C1	C2	H6	116.314
C1	C2	H7	116.314	C2	C1	H4	120.631
C2	C1	H5	120.631	Cl3	C2	H6	100.010
Cl3	C2	H7	100.010	H4	C1	H5	118.093

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

using model chemistry: TPSSh/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	-0.216
2	C	-0.433
3	Cl	-0.157
4	H	0.178
5	H	0.178
6	H	0.224
7	H	0.224

	x	y	z	Total
	-1.481	2.756	0.000	3.129
CHELPG
AIM
ESP

	x	y	z
x	5.427	-1.811	0.000
y	-1.811	5.396	0.000
z	0.000	0.000	3.343

<r²>	78.997
(<r²>)^1/2	8.888

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

using model chemistry: TPSSh/6-31G

States and conformations

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