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	hartrees
Energy at 0K	-834.631594
Energy at 298.15K	-834.633404
HF Energy	-834.631594
Nuclear repulsion energy	282.229112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1116	1110	76.51
2	A'	621	618	88.42
3	A'	457	455	8.54
4	A'	406	404	16.21
5	A'	259	258	4.80
6	A'	185	184	2.21
7	A"	684	681	367.05
8	A"	433	431	2.40
9	A"	338	336	0.11

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.287	0.049	0.000
O2	0.268	-1.406	0.000
F3	-1.318	0.613	0.000
F4	0.268	0.272	1.763
F5	0.268	0.272	-1.763

	Cl1	O2	F3	F4	F5
Cl1		1.4542	1.7024	1.7774	1.7774
O2	1.4542		2.5680	2.4338	2.4338
F3	1.7024	2.5680		2.3965	2.3965
F4	1.7774	2.4338	2.3965		3.5263
F5	1.7774	2.4338	2.3965	3.5263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	108.631	O2	Cl1	F4	97.219
O2	Cl1	F5	97.219	F3	Cl1	F4	87.028
F3	Cl1	F5	87.028	F4	Cl1	F5	165.493

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

using model chemistry: BLYP/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	0.758
2	O	-0.116
3	F	-0.137
4	F	-0.252
5	F	-0.252

	x	y	z	Total
	0.732	0.273	0.000	0.781
CHELPG
AIM
ESP

	x	y	z
x	3.577	-0.597	0.000
y	-0.597	4.088	0.000
z	0.000	0.000	5.777

<r²>	115.841
(<r²>)^1/2	10.763

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

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

States and conformations

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