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	hartrees
Energy at 0K	-538.699050
Energy at 298.15K	-538.702502
HF Energy	-538.699050
Nuclear repulsion energy	91.380686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	3072	3.78
2	A'	3049	3032	8.60
3	A'	1474	1466	0.30
4	A'	1433	1425	4.85
5	A'	1175	1168	9.40
6	A'	1088	1082	10.63
7	A'	707	703	72.67
8	A'	376	374	48.35
9	A'	275	274	23.26
10	A"	3193	3176	6.12
11	A"	3119	3102	1.55
12	A"	1214	1208	0.05
13	A"	1008	1003	0.78
14	A"	773	769	1.88
15	A"	274	273	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.455	0.898	0.000
C2	0.000	0.935	0.000
Cl3	0.697	-0.899	0.000
H4	-2.008	0.795	0.936
H5	-2.008	0.795	-0.936
H6	0.451	1.352	-0.907
H7	0.451	1.352	0.907

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4556	2.8036	1.0918	1.0918	2.1588	2.1588
C2	1.4556		1.9623	2.2198	2.2198	1.0951	1.0951
Cl3	2.8036	1.9623		3.3262	3.3262	2.4393	2.4393
H4	1.0918	2.2198	3.3262		1.8717	3.1227	2.5209
H5	1.0918	2.2198	3.3262	1.8717		2.5209	3.1227
H6	2.1588	1.0951	2.4393	3.1227	2.5209		1.8143
H7	2.1588	1.0951	2.4393	2.5209	3.1227	1.8143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.330	C1	C2	H6	114.899
C1	C2	H7	114.899	C2	C1	H4	120.576
C2	C1	H5	120.576	Cl3	C2	H6	102.088
Cl3	C2	H7	102.088	H4	C1	H5	117.994

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

using model chemistry: BLYP/6-31+G**

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	-0.168
2	C	-0.439
3	Cl	-0.098
4	H	0.155
5	H	0.155
6	H	0.198
7	H	0.198

	x	y	z	Total
	-1.205	2.228	0.000	2.533
CHELPG
AIM
ESP

	x	y	z
x	7.085	-1.809	0.000
y	-1.809	6.773	0.000
z	0.000	0.000	4.626

<r²>	77.978
(<r²>)^1/2	8.831

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

using model chemistry: BLYP/6-31+G**

States and conformations

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