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	hartrees
Energy at 0K	-834.351222
Energy at 298.15K	-834.345072
HF Energy	-834.589488
Nuclear repulsion energy	287.139470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1161	1115	102.95
2	A'	706	678	107.37
3	A'	514	493	6.17
4	A'	448	430	25.76
5	A'	302	290	8.16
6	A'	194	186	1.98
7	A"	754	724	454.07
8	A"	470	451	0.22
9	A"	390	375	0.02

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.298	0.045	0.000
O2	0.236	-1.406	0.000
F3	-1.246	0.690	0.000
F4	0.236	0.238	1.728
F5	0.236	0.238	-1.728

	Cl1	O2	F3	F4	F5
Cl1		1.4522	1.6729	1.7400	1.7400
O2	1.4522		2.5673	2.3855	2.3855
F3	1.6729	2.5673		2.3211	2.3211
F4	1.7400	2.3855	2.3211		3.4563
F5	1.7400	2.3855	2.3211	3.4563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	110.270	O2	Cl1	F4	96.292
O2	Cl1	F5	96.292	F3	Cl1	F4	85.675
F3	Cl1	F5	85.675	F4	Cl1	F5	166.603

All results from a given calculation for ClOF₃ (Chlorine trifluoride oxide)

using model chemistry: G3B3

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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Number	Element	Mulliken
1	Cl	1.466
2	O	-0.398
3	F	-0.284
4	F	-0.392
5	F	-0.392

	x	y	z	Total
	0.972	0.609	0.000	1.147
CHELPG
AIM
ESP

<r²>	112.540
(<r²>)^1/2	10.608

All results from a given calculation for ClOF3 (Chlorine trifluoride oxide)

using model chemistry: G3B3

States and conformations

All results from a given calculation for ClOF₃ (Chlorine trifluoride oxide)