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	hartrees
Energy at 0K	-532.679543
Energy at 298.15K	-532.682956
HF Energy	-532.679543
Nuclear repulsion energy	90.931085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3045	4.14
2	A'	3240	2998	0.18
3	A'	1579	1461	0.84
4	A'	1534	1419	0.25
5	A'	1263	1168	3.27
6	A'	1105	1022	5.45
7	A'	633	585	48.27
8	A'	579	536	6.63
9	A'	290	268	9.55
10	A"	3462	3203	0.01
11	A"	3364	3112	0.00
12	A"	1292	1195	0.73
13	A"	1073	993	0.01
14	A"	798	738	1.52
15	A"	284	263	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.493	0.882	0.000
C2	0.000	0.913	0.000
Cl3	0.717	-0.884	0.000
H4	-2.045	0.752	0.948
H5	-2.045	0.752	-0.948
H6	0.434	1.373	-0.916
H7	0.434	1.373	0.916

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4937	2.8287	1.1047	1.1047	2.1894	2.1894
C2	1.4937		1.9345	2.2602	2.2602	1.1129	1.1129
Cl3	2.8287	1.9345		3.3469	3.3469	2.4522	2.4522
H4	1.1047	2.2602	3.3469		1.8959	3.1632	2.5561
H5	1.1047	2.2602	3.3469	1.8959		2.5561	3.1632
H6	2.1894	1.1129	2.4522	3.1632	2.5561		1.8316
H7	2.1894	1.1129	2.4522	2.5561	3.1632	1.8316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.548	C1	C2	H6	113.466
C1	C2	H7	113.466	C2	C1	H4	120.139
C2	C1	H5	120.139	Cl3	C2	H6	103.875
Cl3	C2	H7	103.875	H4	C1	H5	118.207

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

using model chemistry: BLYP/STO-3G

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	-0.099
2	C	-0.107
3	Cl	-0.181
4	H	0.085
5	H	0.085
6	H	0.108
7	H	0.108

	x	y	z	Total
	-1.175	2.058	0.000	2.370
CHELPG
AIM
ESP

	x	y	z
x	2.980	-1.131	0.000
y	-1.131	2.850	0.000
z	0.000	0.000	1.703

<r²>	76.896
(<r²>)^1/2	8.769

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

using model chemistry: BLYP/STO-3G

States and conformations

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