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	hartrees
Energy at 0K	-538.746183
Energy at 298.15K	-538.749830
HF Energy	-538.746183
Nuclear repulsion energy	94.359221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3027	1.63
2	A'	3115	2975	9.14
3	A'	1504	1437	0.62
4	A'	1466	1400	4.69
5	A'	1258	1202	14.42
6	A'	1106	1056	9.55
7	A'	646	617	91.07
8	A'	573	548	13.31
9	A'	311	297	13.59
10	A"	3279	3132	1.83
11	A"	3179	3036	1.01
12	A"	1263	1207	0.16
13	A"	1064	1016	0.78
14	A"	778	743	1.42
15	A"	256	244	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-1.461	0.811	0.000
C2	0.000	0.871	0.000
Cl3	0.702	-0.830	0.000
H4	-1.996	0.679	0.927
H5	-1.996	0.679	-0.927
H6	0.410	1.336	-0.891
H7	0.410	1.336	0.891

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4623	2.7153	1.0788	1.0788	2.1376	2.1376
C2	1.4623		1.8407	2.2095	2.2095	1.0850	1.0850
Cl3	2.7153	1.8407		3.2279	3.2279	2.3604	2.3604
H4	1.0788	2.2095	3.2279		1.8546	3.0865	2.4946
H5	1.0788	2.2095	3.2279	1.8546		2.4946	3.0865
H6	2.1376	1.0850	2.3604	3.0865	2.4946		1.7813
H7	2.1376	1.0850	2.3604	2.4946	3.0865	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.057	C1	C2	H6	113.277
C1	C2	H7	113.277	C2	C1	H4	120.053
C2	C1	H5	120.053	Cl3	C2	H6	104.584
Cl3	C2	H7	104.584	H4	C1	H5	118.537

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

using model chemistry: M06-2X/cc-pVTZ

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	-0.344
2	C	-0.143
3	Cl	-0.166
4	H	0.177
5	H	0.177
6	H	0.149
7	H	0.149

	x	y	z	Total
	-0.980	1.808	0.000	2.056
CHELPG
AIM
ESP

	x	y	z
x	5.947	-1.176	0.000
y	-1.176	5.802	0.000
z	0.000	0.000	4.352

<r²>	73.588
(<r²>)^1/2	8.578

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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