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	hartrees
Energy at 0K	-785.416686
Energy at 298.15K	-785.419759
HF Energy	-785.416686
Nuclear repulsion energy	292.791145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1082	1034	63.19
2	A₁	725	693	221.78
3	A₁	542	518	0.06
4	E	1333	1275	260.00
4	E	1333	1275	259.88
5	E	581	555	30.39
5	E	581	555	30.38
6	E	395	378	0.62
6	E	395	378	0.62

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	-1.500
Cl2	0.000	0.000	0.154
O3	0.000	1.398	0.454
O4	-1.211	-0.699	0.454
O5	1.211	-0.699	0.454

	F1	Cl2	O3	O4	O5
F1		1.6542	2.4027	2.4027	2.4027
Cl2	1.6542		1.4302	1.4302	1.4302
O3	2.4027	1.4302		2.4222	2.4222
O4	2.4027	1.4302	2.4222		2.4222
O5	2.4027	1.4302	2.4222	2.4222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	Cl2	O3	102.091	F1	Cl2	O4	102.091
F1	Cl2	O5	102.091	O3	Cl2	O4	115.734
O3	Cl2	O5	115.734	O4	Cl2	O5	115.734

All results from a given calculation for ClFO₃ (Perchloryl fluoride)

using model chemistry: wB97X-D/cc-pVTZ

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	F	-0.203
2	Cl	1.180
3	O	-0.325
4	O	-0.325
5	O	-0.325

	x	y	z	Total
	0.000	0.000	0.013	0.013
CHELPG
AIM
ESP

<r²>	91.942
(<r²>)^1/2	9.589

All results from a given calculation for ClFO3 (Perchloryl fluoride)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for ClFO₃ (Perchloryl fluoride)