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	hartrees
Energy at 0K	-831.811617
Energy at 298.15K	-831.813596
HF Energy	-831.811617
Nuclear repulsion energy	285.043008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1168	1155	95.64
2	A'	687	679	111.74
3	A'	514	508	7.42
4	A'	415	411	23.69
5	A'	269	266	8.26
6	A'	186	184	2.04
7	A"	765	757	413.71
8	A"	445	441	0.12
9	A"	345	341	0.07

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.291	0.052	0.000
O2	0.258	-1.408	0.000
F3	-1.296	0.634	0.000
F4	0.258	0.260	1.735
F5	0.258	0.260	-1.735

	Cl1	O2	F3	F4	F5
Cl1		1.4601	1.6904	1.7478	1.7478
O2	1.4601		2.5655	2.4066	2.4066
F3	1.6904	2.5655		2.3589	2.3589
F4	1.7478	2.4066	2.3589		3.4701
F5	1.7478	2.4066	2.3589	3.4701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	108.824	O2	Cl1	F4	96.806
O2	Cl1	F5	96.806	F3	Cl1	F4	86.625
F3	Cl1	F5	86.625	F4	Cl1	F5	166.158

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

using model chemistry: LSDA/cc-pVDZ

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
1	Cl	1.059
2	O	-0.224
3	F	-0.213
4	F	-0.310
5	F	-0.310

	x	y	z	Total
	1.050	0.342	0.000	1.104
CHELPG
AIM
ESP

	x	y	z
x	2.724	-0.672	0.000
y	-0.672	3.439	0.000
z	0.000	0.000	4.986

<r²>	114.061
(<r²>)^1/2	10.680

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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