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	hartrees
Energy at 0K	-778.918329
Energy at 298.15K	-778.916744
Nuclear repulsion energy	204.507268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	877	794	0.25
2	A₁	111	101	1.60
3	A₁	69	63	1.29
4	E	147	133	11.19
4	E	147	133	11.19
5	E	102	92	7.08
5	E	102	92	7.08
6	E	40	36	0.99
6	E	40	36	0.99

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	-1.659
Cl2	0.000	0.000	0.017
O3	0.000	2.223	0.610
O4	-1.925	-1.111	0.610
O5	1.925	-1.111	0.610

	F1	Cl2	O3	O4	O5
F1		1.6763	3.1769	3.1769	3.1769
Cl2	1.6763		2.3008	2.3008	2.3008
O3	3.1769	2.3008		3.8503	3.8503
O4	3.1769	2.3008	3.8503		3.8503
O5	3.1769	2.3008	3.8503	3.8503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	Cl2	O3	104.943	F1	Cl2	O4	104.943
F1	Cl2	O5	104.943	O3	Cl2	O4	113.595
O3	Cl2	O5	113.595	O4	Cl2	O5	113.595

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

using model chemistry: HF/3-21G

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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Number	Element	Mulliken	CHELPG	ESP
1	F	-0.260	-0.046	-0.023
2	Cl	0.461	0.137	0.029
3	O	-0.067	-0.030	-0.001
4	O	-0.067	-0.030	-0.002
5	O	-0.067	-0.030	-0.003

	x	y	z	Total
	0.000	0.000	0.327	0.327
CHELPG	0.000	-0.005	0.115	0.115
AIM
ESP	0.003	0.013	-0.172	0.172

<r²>	172.808
(<r²>)^1/2	13.146

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

using model chemistry: HF/3-21G

States and conformations

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