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	hartrees
Energy at 0K	-537.999093
Energy at 298.15K	-538.002739
HF Energy	-537.545818
Nuclear repulsion energy	94.115906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3027	4.84
2	A'	3124	2981	18.58
3	A'	1516	1446	0.07
4	A'	1485	1417	2.22
5	A'	1325	1264	24.75
6	A'	1101	1050	6.86
7	A'	685	654	95.36
8	A'	604	576	2.87
9	A'	308	294	10.60
10	A"	3284	3133	7.09
11	A"	3187	3041	6.00
12	A"	1290	1231	0.04
13	A"	1102	1051	2.38
14	A"	791	755	1.03
15	A"	221	211	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.479	0.805	0.000
C2	0.000	0.862	0.000
Cl3	0.712	-0.824	0.000
H4	-2.014	0.654	0.932
H5	-2.014	0.654	-0.932
H6	0.394	1.347	-0.894
H7	0.394	1.347	0.894

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4800	2.7303	1.0850	1.0850	2.1447	2.1447
C2	1.4800		1.8302	2.2286	2.2286	1.0903	1.0903
Cl3	2.7303	1.8302		3.2378	3.2378	2.3688	2.3688
H4	1.0850	2.2286	3.2378		1.8638	3.0999	2.5057
H5	1.0850	2.2286	3.2378	1.8638		2.5057	3.0999
H6	2.1447	1.0903	2.3688	3.0999	2.5057		1.7871
H7	2.1447	1.0903	2.3688	2.5057	3.0999	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.695	C1	C2	H6	112.230
C1	C2	H7	112.230	C2	C1	H4	119.860
C2	C1	H5	119.860	Cl3	C2	H6	105.595
Cl3	C2	H7	105.595	H4	C1	H5	118.383

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

using model chemistry: QCISD/6-311G**

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

using model chemistry: QCISD/6-311G**

States and conformations

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