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	hartrees
Energy at 0K	-538.051101
Energy at 298.15K	-538.054707
HF Energy	-537.514501
Nuclear repulsion energy	94.042182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3194	3194
2	A'	3135	3135
3	A'	1514	1514
4	A'	1476	1476
5	A'	1268	1268
6	A'	1096	1096
7	A'	666	666
8	A'	594	594
9	A'	304	304
10	A"	3308	3308
11	A"	3202	3202
12	A"	1270	1270
13	A"	1073	1073
14	A"	781	781
15	A"	220	220

Atom	x (Å)	y (Å)	z (Å)
C1	-1.474	0.808	0.000
C2	0.000	0.871	0.000
Cl3	0.709	-0.828	0.000
H4	-2.008	0.658	0.930
H5	-2.008	0.658	-0.930
H6	0.406	1.344	-0.893
H7	0.406	1.344	0.893

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4750	2.7273	1.0829	1.0829	2.1490	2.1490
C2	1.4750		1.8408	2.2230	2.2230	1.0891	1.0891
Cl3	2.7273	1.8408		3.2333	3.2333	2.3680	2.3680
H4	1.0829	2.2230	3.2333		1.8600	3.1017	2.5099
H5	1.0829	2.2230	3.2333	1.8600		2.5099	3.1017
H6	2.1490	1.0891	2.3680	3.1017	2.5099		1.7855
H7	2.1490	1.0891	2.3680	2.5099	3.1017	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.191	C1	C2	H6	113.026
C1	C2	H7	113.026	C2	C1	H4	119.924
C2	C1	H5	119.924	Cl3	C2	H6	104.930
Cl3	C2	H7	104.930	H4	C1	H5	118.364

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

using model chemistry: CCSD(T)/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CH2CH2Cl (2-chloroethyl radical)

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

States and conformations

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