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	hartrees
Energy at 0K	-831.843682
Energy at 298.15K	-831.845887
HF Energy	-831.843682
Nuclear repulsion energy	293.234348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1230	1210	89.74
2	A'	719	708	105.39
3	A'	521	513	7.84
4	A'	467	459	17.59
5	A'	305	300	5.57
6	A'	212	208	1.55
7	A"	750	738	434.05
8	A"	486	478	1.04
9	A"	397	391	0.02

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.291	0.053	0.000
O2	0.238	-1.371	0.000
F3	-1.236	0.624	0.000
F4	0.238	0.247	1.694
F5	0.238	0.247	-1.694

	Cl1	O2	F3	F4	F5
Cl1		1.4252	1.6301	1.7063	1.7063
O2	1.4252		2.4808	2.3434	2.3434
F3	1.6301	2.4808		2.2770	2.2770
F4	1.7063	2.3434	2.2770		3.3888
F5	1.7063	2.3434	2.2770	3.3888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	108.387	O2	Cl1	F4	96.478
O2	Cl1	F5	96.478	F3	Cl1	F4	86.042
F3	Cl1	F5	86.042	F4	Cl1	F5	166.425

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

using model chemistry: LSDA/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	0.661
2	O	-0.116
3	F	-0.095
4	F	-0.225
5	F	-0.225

	x	y	z	Total
	0.605	0.522	0.000	0.799
CHELPG
AIM
ESP

	x	y	z
x	3.315	-0.491	0.000
y	-0.491	3.883	0.000
z	0.000	0.000	5.129

<r²>	108.242
(<r²>)^1/2	10.404

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

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

States and conformations

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