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	hartrees
Energy at 0K	-834.629635
Energy at 298.15K	-834.631553
HF Energy	-834.629635
Nuclear repulsion energy	283.481715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1160	1118	112.11
2	A'	659	636	124.01
3	A'	463	446	8.70
4	A'	429	414	29.31
5	A'	275	266	8.91
6	A'	193	186	4.47
7	A"	675	651	550.53
8	A"	447	431	5.13
9	A"	357	344	0.56

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.291	0.045	0.000
O2	0.254	-1.403	0.000
F3	-1.283	0.653	0.000
F4	0.254	0.255	1.763
F5	0.254	0.255	-1.763

	Cl1	O2	F3	F4	F5
Cl1		1.4483	1.6879	1.7756	1.7756
O2	1.4483		2.5670	2.4198	2.4198
F3	1.6879	2.5670		2.3721	2.3721
F4	1.7756	2.4198	2.3721		3.5256
F5	1.7756	2.4198	2.3721	3.5256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.634	O2	Cl1	F4	96.756
O2	Cl1	F5	96.756	F3	Cl1	F4	86.412
F3	Cl1	F5	86.412	F4	Cl1	F5	166.197

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

using model chemistry: B3LYP/6-31+G**

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	1.516
2	O	-0.377
3	F	-0.303
4	F	-0.418
5	F	-0.418

	x	y	z	Total
	1.091	0.230	0.000	1.115
CHELPG
AIM
ESP

	x	y	z
x	3.795	-0.744	0.000
y	-0.744	4.526	0.000
z	0.000	0.000	6.590

<r²>	116.511
(<r²>)^1/2	10.794

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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