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	hartrees
Energy at 0K	-538.099537
Energy at 298.15K	-538.103172
HF Energy	-537.558710
Nuclear repulsion energy	94.655502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3009	3.03
2	A'	3124	2947	11.54
3	A'	1528	1441	0.90
4	A'	1490	1405	2.82
5	A'	1298	1224	17.93
6	A'	1102	1039	8.35
7	A'	703	663	82.01
8	A'	608	573	8.82
9	A'	315	297	10.98
10	A"	3304	3116	2.74
11	A"	3187	3006	1.84
12	A"	1286	1213	0.30
13	A"	1089	1027	0.75
14	A"	789	744	0.70
15	A"	203	191	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.474	0.795	0.000
C2	0.000	0.855	0.000
Cl3	0.710	-0.817	0.000
H4	-2.009	0.656	0.927
H5	-2.009	0.656	-0.927
H6	0.397	1.338	-0.888
H7	0.397	1.338	0.888

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4754	2.7141	1.0793	1.0793	2.1408	2.1408
C2	1.4754		1.8159	2.2213	2.2213	1.0858	1.0858
Cl3	2.7141	1.8159		3.2278	3.2278	2.3513	2.3513
H4	1.0793	2.2213	3.2278		1.8546	3.0895	2.5003
H5	1.0793	2.2213	3.2278	1.8546		2.5003	3.0895
H6	2.1408	1.0858	2.3513	3.0895	2.5003		1.7757
H7	2.1408	1.0858	2.3513	2.5003	3.0895	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.679	C1	C2	H6	112.524
C1	C2	H7	112.524	C2	C1	H4	120.002
C2	C1	H5	120.002	Cl3	C2	H6	105.471
Cl3	C2	H7	105.471	H4	C1	H5	118.455

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

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

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