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	hartrees
Energy at 0K	-538.065818
Energy at 298.15K	-538.069470
HF Energy	-537.514694
Nuclear repulsion energy	94.574906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3032	2.43
2	A'	3161	2977	11.03
3	A'	1537	1447	1.05
4	A'	1494	1406	1.82
5	A'	1296	1220	18.34
6	A'	1113	1048	6.94
7	A'	687	647	90.15
8	A'	608	572	4.10
9	A'	312	294	10.90
10	A"	3333	3138	2.77
11	A"	3226	3037	2.03
12	A"	1296	1220	0.15
13	A"	1094	1030	0.86
14	A"	794	747	1.19
15	A"	223	210	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.471	0.799	0.000
C2	0.000	0.860	0.000
Cl3	0.708	-0.819	0.000
H4	-2.004	0.645	0.927
H5	-2.004	0.645	-0.927
H6	0.399	1.342	-0.888
H7	0.399	1.342	0.888

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4722	2.7140	1.0799	1.0799	2.1402	2.1402
C2	1.4722		1.8228	2.2180	2.2180	1.0857	1.0857
Cl3	2.7140	1.8228		3.2178	3.2178	2.3564	2.3564
H4	1.0799	2.2180	3.2178		1.8534	3.0905	2.5022
H5	1.0799	2.2180	3.2178	1.8534		2.5022	3.0905
H6	2.1402	1.0857	2.3564	3.0905	2.5022		1.7751
H7	2.1402	1.0857	2.3564	2.5022	3.0905	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.455	C1	C2	H6	112.709
C1	C2	H7	112.709	C2	C1	H4	119.918
C2	C1	H5	119.918	Cl3	C2	H6	105.402
Cl3	C2	H7	105.402	H4	C1	H5	118.215

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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