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	hartrees
Energy at 0K	-785.146422
Energy at 298.15K	-785.149279
Nuclear repulsion energy	286.773624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1021	976	70.77
2	A₁	735	703	165.78
3	A₁	502	481	2.72
4	E	1264	1210	223.06
4	E	1264	1209	223.06
5	E	537	514	28.40
5	E	537	514	28.40
6	E	355	340	0.48
6	E	355	340	0.48

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	-1.513
Cl2	0.000	0.000	0.152
O3	0.000	1.412	0.460
O4	-1.222	-0.706	0.460
O5	1.222	-0.706	0.460

	F1	Cl2	O3	O4	O5
F1		1.6648	2.4254	2.4254	2.4254
Cl2	1.6648		1.4446	1.4446	1.4446
O3	2.4254	1.4446		2.4448	2.4448
O4	2.4254	1.4446	2.4448		2.4448
O5	2.4254	1.4446	2.4448	2.4448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	Cl2	O3	102.291	F1	Cl2	O4	102.291
F1	Cl2	O5	102.291	O3	Cl2	O4	115.596
O3	Cl2	O5	115.596	O4	Cl2	O5	115.596

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

using model chemistry: B3PW91/6-31G*

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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Number	Element	Mulliken	ESP
1	F	-0.295	-0.127
2	Cl	1.534	0.820
3	O	-0.413	-0.230
4	O	-0.413	-0.231
5	O	-0.413	-0.231

	x	y	z	Total
	0.000	0.000	0.008	0.008
CHELPG
AIM
ESP	-0.002	0.002	-0.003	0.005

<r²>	95.011
(<r²>)^1/2	9.747

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

using model chemistry: B3PW91/6-31G*

States and conformations

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