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	hartrees
Energy at 0K	-757.523878
Energy at 298.15K
HF Energy	-757.523878
Nuclear repulsion energy	199.204683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	891	891	47.48
2	A₁	625	625	1.22
3	A₁	396	396	25.60
4	B₁	379	379	31.66
5	B₂	779	779	662.72
6	B₂	495	495	1.84

Atom	y (Å)	z (Å)
Cl1	0.000	0.364
F2	0.000	-1.216
F3	1.671	0.264
F4	-1.671	0.264

	Cl1	F2	F3	F4
Cl1		1.5798	1.6740	1.6740
F2	1.5798		2.2325	2.2325
F3	1.6740	2.2325		3.3421
F4	1.6740	2.2325	3.3421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	F3	86.596		F2	Cl1	F4	86.596
F3	Cl1	F4	173.192

All results from a given calculation for ClF₃ (Chlorine trifluoride)

using model chemistry: HF/cc-pV(D+d)Z

States and conformations

Conformer 1 (D3H)

Conformer 2 (C2V)

	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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Number	Element	Mulliken
1	Cl	1.170
2	F	-0.242
3	F	-0.464
4	F	-0.464

	x	y	z	Total
	0.000	0.000	0.976	0.976
CHELPG
AIM
ESP

<r²>	84.826
(<r²>)^1/2	9.210

All results from a given calculation for ClF3 (Chlorine trifluoride)

using model chemistry: HF/cc-pV(D+d)Z

States and conformations

Conformer 1 (D3H)

Conformer 2 (C2V)

All results from a given calculation for ClF₃ (Chlorine trifluoride)