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	hartrees
Energy at 0K	-637.300029
Energy at 298.15K
HF Energy	-637.005633
Nuclear repulsion energy	149.735272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3310	0.54
2	A'	3204	3204	4.53
3	A'	1707	1707	154.45
4	A'	1415	1415	2.09
5	A'	1198	1198	181.03
6	A'	963	963	45.55
7	A'	706	706	42.32
8	A'	438	438	1.33
9	A'	377	377	0.01
10	A"	869	869	56.55
11	A"	731	731	0.10
12	A"	536	536	2.25

Atom	x (Å)	y (Å)
C1	0.000	0.450
C2	-0.995	1.318
F3	1.276	0.824
Cl4	-0.160	-1.257
H5	-0.778	2.373
H6	-2.014	0.976

	C1	C2	F3	Cl4	H5	H6
C1		1.3203	1.3302	1.7140	2.0751	2.0818
C2	1.3203		2.3241	2.7064	1.0775	1.0749
F3	1.3302	2.3241		2.5289	2.5731	3.2940
Cl4	1.7140	2.7064	2.5289		3.6823	2.9024
H5	2.0751	1.0775	2.5731	3.6823		1.8650
H6	2.0818	1.0749	3.2940	2.9024	1.8650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.518	C1	C2	H6	120.382
C2	C1	F3	122.535	C2	C1	Cl4	125.738
F3	C1	Cl4	111.727	H5	C2	H6	120.100

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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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 C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)