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	hartrees
Energy at 0K	-86.577925
Energy at 298.15K	-86.580717
Nuclear repulsion energy	111.331585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	995	953	66.07
2	A₁	698	668	198.97
3	A₁	489	468	1.02
4	E	1233	1180	224.26
4	E	1233	1180	223.50
5	E	522	500	28.72
5	E	521	498	28.60
6	E	353	338	0.74
6	E	353	338	0.77

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	-1.529
Cl2	0.000	0.000	0.159
O3	0.000	1.429	0.461
O4	-1.237	-0.714	0.461
O5	1.237	-0.714	0.461

	F1	Cl2	O3	O4	O5
F1		1.6872	2.4495	2.4495	2.4495
Cl2	1.6872		1.4606	1.4606	1.4606
O3	2.4495	1.4606		2.4750	2.4750
O4	2.4495	1.4606	2.4750		2.4750
O5	2.4495	1.4606	2.4750	2.4750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	Cl2	O3	101.945	F1	Cl2	O4	101.945
F1	Cl2	O5	101.945	O3	Cl2	O4	115.832
O3	Cl2	O5	115.832	O4	Cl2	O5	115.832

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

using model chemistry: B1B95/CEP-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
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Number	Element	Mulliken
1	F	-0.199
2	Cl	0.710
3	O	-0.170
4	O	-0.170
5	O	-0.170

	x	y	z	Total
	0.000	0.000	0.330	0.330
CHELPG
AIM
ESP

	x	y	z
x	4.246	0.000	0.000
y	0.000	4.248	0.001
z	0.000	0.001	3.776

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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