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	hartrees
Energy at 0K	-538.671242
Energy at 298.15K	-538.674927
HF Energy	-538.671242
Nuclear repulsion energy	94.002617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3038	2.54
2	A'	3145	2978	11.55
3	A'	1528	1447	0.43
4	A'	1487	1408	3.93
5	A'	1286	1218	22.05
6	A'	1117	1057	9.75
7	A'	648	614	101.79
8	A'	581	550	20.29
9	A'	314	298	14.97
10	A"	3317	3141	4.29
11	A"	3210	3040	2.49
12	A"	1277	1209	0.06
13	A"	1079	1022	0.95
14	A"	778	737	1.89
15	A"	294	279	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.467	0.824	0.000
C2	0.000	0.870	0.000
Cl3	0.705	-0.835	0.000
H4	-2.003	0.677	0.929
H5	-2.003	0.677	-0.929
H6	0.412	1.340	-0.892
H7	0.412	1.340	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4673	2.7331	1.0825	1.0825	2.1427	2.1427
C2	1.4673		1.8452	2.2161	2.2161	1.0896	1.0896
Cl3	2.7331	1.8452		3.2375	3.2375	2.3699	2.3699
H4	1.0825	2.2161	3.2375		1.8575	3.0963	2.5044
H5	1.0825	2.2161	3.2375	1.8575		2.5044	3.0963
H6	2.1427	1.0896	2.3699	3.0963	2.5044		1.7847
H7	2.1427	1.0896	2.3699	2.5044	3.0963	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.680	C1	C2	H6	113.026
C1	C2	H7	113.026	C2	C1	H4	119.955
C2	C1	H5	119.955	Cl3	C2	H6	104.757
Cl3	C2	H7	104.757	H4	C1	H5	118.181

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

using model chemistry: M06-2X/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	-0.284
2	C	-0.425
3	Cl	-0.106
4	H	0.187
5	H	0.187
6	H	0.220
7	H	0.220

	x	y	z	Total
	-1.120	1.946	0.000	2.245
CHELPG
AIM
ESP

	x	y	z
x	5.014	-1.096	0.000
y	-1.096	4.750	0.000
z	0.000	0.000	3.732

<r²>	73.914
(<r²>)^1/2	8.597

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

using model chemistry: M06-2X/6-31G*

States and conformations

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