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	hartrees
Energy at 0K	-535.951635
Energy at 298.15K	-535.955243
HF Energy	-535.848916
Nuclear repulsion energy	92.804342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3200	3.05
2	A'	3154	3154	8.42
3	A'	1564	1564	3.52
4	A'	1531	1531	3.46
5	A'	1290	1290	9.27
6	A'	1075	1075	7.47
7	A'	673	673	85.78
8	A'	498	498	39.55
9	A'	310	310	15.30
10	A"	3310	3310	4.70
11	A"	3219	3219	1.25
12	A"	1313	1313	0.15
13	A"	1093	1093	0.58
14	A"	817	817	3.69
15	A"	253	253	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.467	0.846	0.000
C2	0.000	0.904	0.000
Cl3	0.704	-0.861	0.000
H4	-2.003	0.715	0.929
H5	-2.003	0.715	-0.929
H6	0.421	1.351	-0.896
H7	0.421	1.351	0.896

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4678	2.7612	1.0811	1.0811	2.1500	2.1500
C2	1.4678		1.9002	2.2164	2.2164	1.0867	1.0867
Cl3	2.7612	1.9002		3.2671	3.2671	2.4037	2.4037
H4	1.0811	2.2164	3.2671		1.8587	3.1009	2.5067
H5	1.0811	2.2164	3.2671	1.8587		2.5067	3.1009
H6	2.1500	1.0867	2.4037	3.1009	2.5067		1.7929
H7	2.1500	1.0867	2.4037	2.5067	3.1009	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.467	C1	C2	H6	113.797
C1	C2	H7	113.797	C2	C1	H4	120.047
C2	C1	H5	120.047	Cl3	C2	H6	103.815
Cl3	C2	H7	103.815	H4	C1	H5	118.552

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

using model chemistry: B2PLYP=FULL/3-21G*

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: B2PLYP=FULL/3-21G*

States and conformations

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