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	hartrees
Energy at 0K	-538.033156
Energy at 298.15K	-538.036835
HF Energy	-537.558831
Nuclear repulsion energy	95.014655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3008	2.96
2	A'	3196	2953	11.80
3	A'	1565	1446	1.07
4	A'	1525	1409	2.97
5	A'	1332	1231	19.76
6	A'	1121	1036	8.34
7	A'	717	662	87.39
8	A'	617	570	9.12
9	A'	322	297	11.41
10	A"	3369	3113	2.81
11	A"	3259	3011	1.68
12	A"	1317	1217	0.35
13	A"	1115	1031	0.74
14	A"	806	745	0.75
15	A"	207	191	1.67

Atom	x (Å)	y (Å)	z (Å)
C1	-1.471	0.794	0.000
C2	0.000	0.850	0.000
Cl3	0.708	-0.813	0.000
H4	-2.002	0.650	0.922
H5	-2.002	0.650	-0.922
H6	0.394	1.331	-0.883
H7	0.394	1.331	0.883

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4719	2.7075	1.0737	1.0737	2.1321	2.1321
C2	1.4719		1.8081	2.2129	2.2129	1.0797	1.0797
Cl3	2.7075	1.8081		3.2146	3.2146	2.3405	2.3405
H4	1.0737	2.2129	3.2146		1.8444	3.0758	2.4909
H5	1.0737	2.2129	3.2146	1.8444		2.4909	3.0758
H6	2.1321	1.0797	2.3405	3.0758	2.4909		1.7652
H7	2.1321	1.0797	2.3405	2.4909	3.0758	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.851	C1	C2	H6	112.447
C1	C2	H7	112.447	C2	C1	H4	119.940
C2	C1	H5	119.940	Cl3	C2	H6	105.491
Cl3	C2	H7	105.491	H4	C1	H5	118.389

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

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

States and conformations

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