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	hartrees
Energy at 0K	-834.436132
Energy at 298.15K
HF Energy	-834.436132
Nuclear repulsion energy	243.448244

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.172	-0.020	0.000
O2	1.454	-0.315	0.000
F3	-0.623	-1.898	0.000
F4	-0.172	1.108	1.719
F5	-0.172	1.108	-1.719

	Cl1	O2	F3	F4	F5
Cl1		1.6531	1.9312	2.0555	2.0555
O2	1.6531		2.6111	2.7611	2.7611
F3	1.9312	2.6111		3.4913	3.4913
F4	2.0555	2.7611	3.4913		3.4377
F5	2.0555	2.7611	3.4913	3.4377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	93.194	O2	Cl1	F4	95.622
O2	Cl1	F5	95.622	F3	Cl1	F4	122.229
F3	Cl1	F5	122.229	F4	Cl1	F5	113.484

Number	Element	Mulliken
1	Cl	1.060
2	O	-0.303
3	F	-0.256
4	F	-0.251
5	F	-0.251

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

using model chemistry: BLYP/6-31G

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.649	-0.381	0.000	0.753
CHELPG
AIM
ESP

<r²>	151.698
(<r²>)^1/2	12.317

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

using model chemistry: BLYP/6-31G

States and conformations

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