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	hartrees
Energy at 0K	-834.614008
Energy at 298.15K
HF Energy	-833.584937
Nuclear repulsion energy	294.086529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1888	1888	57.07
2	A'	1392	1392	171.48
3	A'	1263	1263	211.62
4	A'	1093	1093	248.60
5	A'	710	710	3.18
6	A'	527	527	1.35
7	A'	472	472	0.91
8	A'	348	348	1.66
9	A'	193	193	3.42
10	A"	575	575	3.85
11	A"	388	388	2.10
12	A"	175	175	0.07

Atom	x (Å)	y (Å)
C1	-0.685	-0.666
C2	0.000	0.473
F3	-1.998	-0.718
F4	-0.130	-1.856
F5	-0.639	1.640
Cl6	1.706	0.563

	C1	C2	F3	F4	F5	Cl6
C1		1.3292	1.3137	1.3126	2.3067	2.6886
C2	1.3292		2.3259	2.3323	1.3307	1.7089
F3	1.3137	2.3259		2.1866	2.7218	3.9194
F4	1.3126	2.3323	2.1866		3.5327	3.0366
F5	2.3067	1.3307	2.7218	3.5327		2.5813
Cl6	2.6886	1.7089	3.9194	3.0366	2.5813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.278	C1	C2	Cl6	124.026
C2	C1	F3	123.299	C2	C1	F4	123.974
F3	C1	F4	112.727	F5	C2	Cl6	115.697

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: CCSD/6-311G**

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 C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: CCSD/6-311G**

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)