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	hartrees
Energy at 0K	-538.201165
Energy at 298.15K	-538.204801
HF Energy	-537.566899
Nuclear repulsion energy	94.430506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3188	3054
2	A'	3127	2995
3	A'	1519	1456
4	A'	1486	1424
5	A'	1266	1213
6	A'	1104	1058
7	A'	681	652
8	A'	595	570
9	A'	306	293
10	A"	3277	3139
11	A"	3168	3035
12	A"	1276	1222
13	A"	1070	1025
14	A"	786	753
15	A"	226	216

Atom	x (Å)	y (Å)	z (Å)
C1	-1.464	0.807	0.000
C2	0.000	0.868	0.000
Cl3	0.704	-0.828	0.000
H4	-1.996	0.673	0.926
H5	-1.996	0.673	-0.926
H6	0.403	1.338	-0.887
H7	0.403	1.338	0.887

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4655	2.7160	1.0763	1.0763	2.1343	2.1343
C2	1.4655		1.8367	2.2093	2.2093	1.0820	1.0820
Cl3	2.7160	1.8367		3.2255	3.2255	2.3605	2.3605
H4	1.0763	2.2093	3.2255		1.8516	3.0801	2.4901
H5	1.0763	2.2093	3.2255	1.8516		2.4901	3.0801
H6	2.1343	1.0820	2.3605	3.0801	2.4901		1.7749
H7	2.1343	1.0820	2.3605	2.4901	3.0801	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.166	C1	C2	H6	112.953
C1	C2	H7	112.953	C2	C1	H4	119.951
C2	C1	H5	119.951	Cl3	C2	H6	104.984
Cl3	C2	H7	104.984	H4	C1	H5	118.668

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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)=FULL/cc-pVTZ

States and conformations

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