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	hartrees
Energy at 0K	-831.982264
Energy at 298.15K	-831.984135
HF Energy	-831.982264
Nuclear repulsion energy	283.500264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1169	1155	105.78
2	A'	649	642	127.92
3	A'	475	469	11.22
4	A'	410	405	26.69
5	A'	258	255	9.21
6	A'	186	184	4.02
7	A"	695	687	481.02
8	A"	439	434	1.49
9	A"	340	336	0.02

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.287	0.052	0.000
O2	0.267	-1.398	0.000
F3	-1.314	0.594	0.000
F4	0.267	0.276	1.756
F5	0.267	0.276	-1.756

	Cl1	O2	F3	F4	F5
Cl1		1.4499	1.6913	1.7706	1.7706
O2	1.4499		2.5437	2.4262	2.4262
F3	1.6913	2.5437		2.3847	2.3847
F4	1.7706	2.4262	2.3847		3.5125
F5	1.7706	2.4262	2.3847	3.5125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	107.906	O2	Cl1	F4	97.264
O2	Cl1	F5	97.264	F3	Cl1	F4	87.046
F3	Cl1	F5	87.046	F4	Cl1	F5	165.391

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

using model chemistry: LSDA/TZVP

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	0.973
2	O	-0.151
3	F	-0.180
4	F	-0.321
5	F	-0.321

	x	y	z	Total
	1.085	0.142	0.000	1.094
CHELPG
AIM
ESP

	x	y	z
x	3.338	-0.687	0.000
y	-0.687	4.067	0.000
z	0.000	0.000	6.031

<r²>	116.373
(<r²>)^1/2	10.788

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

using model chemistry: LSDA/TZVP

States and conformations

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