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	hartrees
Energy at 0K	-538.004804
Energy at 298.15K	-538.008475
HF Energy	-537.551925
Nuclear repulsion energy	94.000205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3048	5.01
2	A'	3144	3001	16.34
3	A'	1528	1458	0.10
4	A'	1496	1427	2.11
5	A'	1323	1263	26.40
6	A'	1104	1053	7.05
7	A'	692	660	97.86
8	A'	607	580	2.91
9	A'	311	297	11.09
10	A"	3305	3154	6.64
11	A"	3209	3063	4.99
12	A"	1293	1234	0.01
13	A"	1101	1051	1.24
14	A"	799	762	0.48
15	A"	230	219	2.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.470	0.821	0.000
C2	0.000	0.869	0.000
Cl3	0.708	-0.834	0.000
H4	-2.005	0.675	0.928
H5	-2.005	0.675	-0.928
H6	0.399	1.345	-0.890
H7	0.399	1.345	0.890

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4711	2.7352	1.0807	1.0807	2.1358	2.1358
C2	1.4711		1.8438	2.2176	2.2176	1.0858	1.0858
Cl3	2.7352	1.8438		3.2397	3.2397	2.3742	2.3742
H4	1.0807	2.2176	3.2397		1.8558	3.0875	2.4956
H5	1.0807	2.2176	3.2397	1.8558		2.4956	3.0875
H6	2.1358	1.0858	2.3742	3.0875	2.4956		1.7808
H7	2.1358	1.0858	2.3742	2.4956	3.0875	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.704	C1	C2	H6	112.420
C1	C2	H7	112.420	C2	C1	H4	119.912
C2	C1	H5	119.912	Cl3	C2	H6	105.329
Cl3	C2	H7	105.329	H4	C1	H5	118.328

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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