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	hartrees
Energy at 0K	-834.136914
Energy at 298.15K	-834.138886
HF Energy	-834.136914
Nuclear repulsion energy	286.141936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1169	1157	82.63
2	A'	658	651	95.07
3	A'	479	474	8.15
4	A'	431	427	16.56
5	A'	278	275	4.88
6	A'	197	195	1.95
7	A"	705	698	394.27
8	A"	455	450	2.42
9	A"	361	357	0.12

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.288	0.051	0.000
O2	0.257	-1.393	0.000
F3	-1.288	0.618	0.000
F4	0.257	0.262	1.739
F5	0.257	0.262	-1.739

	Cl1	O2	F3	F4	F5
Cl1		1.4436	1.6752	1.7519	1.7519
O2	1.4436		2.5356	2.4003	2.4003
F3	1.6752	2.5356		2.3534	2.3534
F4	1.7519	2.4003	2.3534		3.4776
F5	1.7519	2.4003	2.3534	3.4776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	108.558	O2	Cl1	F4	96.909
O2	Cl1	F5	96.909	F3	Cl1	F4	86.713
F3	Cl1	F5	86.713	F4	Cl1	F5	165.990

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.760
2	O	-0.131
3	F	-0.131
4	F	-0.249
5	F	-0.249

	x	y	z	Total
	0.655	0.351	0.000	0.743
CHELPG
AIM
ESP

	x	y	z
x	3.489	-0.557	0.000
y	-0.557	4.024	0.000
z	0.000	0.000	5.551

<r²>	112.983
(<r²>)^1/2	10.629

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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