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	hartrees
Energy at 0K	-536.169266
Energy at 298.15K	-536.172704
HF Energy	-536.169266
Nuclear repulsion energy	90.394258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	3074	2.34
2	A'	3069	3049	5.37
3	A'	1513	1503	1.26
4	A'	1480	1470	5.98
5	A'	1168	1161	2.29
6	A'	1086	1079	3.72
7	A'	723	718	63.25
8	A'	302	300	25.02
9	A'	270	268	33.48
10	A"	3197	3177	6.19
11	A"	3138	3118	0.67
12	A"	1250	1242	0.12
13	A"	1008	1002	0.26
14	A"	797	792	3.89
15	A"	321	319	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	-1.442	0.915	0.000
C2	0.000	0.984	0.000
Cl3	0.689	-0.926	0.000
H4	-1.991	0.802	0.936
H5	-1.991	0.802	-0.936
H6	0.465	1.367	-0.913
H7	0.465	1.367	0.913

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4441	2.8159	1.0905	1.0905	2.1626	2.1626
C2	1.4441		2.0304	2.2073	2.2073	1.0937	1.0937
Cl3	2.8159	2.0304		3.3224	3.3224	2.4779	2.4779
H4	1.0905	2.2073	3.3224		1.8715	3.1256	2.5204
H5	1.0905	2.2073	3.3224	1.8715		2.5204	3.1256
H6	2.1626	1.0937	2.4779	3.1256	2.5204		1.8257
H7	2.1626	1.0937	2.4779	2.5204	3.1256	1.8257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	107.076	C1	C2	H6	116.211
C1	C2	H7	116.211	C2	C1	H4	120.484
C2	C1	H5	120.484	Cl3	C2	H6	100.656
Cl3	C2	H7	100.656	H4	C1	H5	118.199

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

using model chemistry: BLYP/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	-0.279
2	C	-0.445
3	Cl	-0.159
4	H	0.202
5	H	0.202
6	H	0.239
7	H	0.239

	x	y	z	Total
	-1.346	2.393	0.000	2.746
CHELPG
AIM
ESP

	x	y	z
x	5.692	-1.757	0.000
y	-1.757	5.248	0.000
z	0.000	0.000	3.505

<r²>	78.578
(<r²>)^1/2	8.864

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

using model chemistry: BLYP/3-21G*

States and conformations

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