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	hartrees
Energy at 0K	-834.084672
Energy at 298.15K	-834.086533
HF Energy	-834.084672
Nuclear repulsion energy	282.943567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1135	1116	87.39
2	A'	659	648	97.25
3	A'	488	480	6.63
4	A'	405	398	20.20
5	A'	268	264	6.54
6	A'	173	170	1.75
7	A"	729	717	378.80
8	A"	434	427	0.03
9	A"	350	344	0.00

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.294	0.044	0.000
O2	0.255	-1.424	0.000
F3	-1.291	0.668	0.000
F4	0.255	0.257	1.749
F5	0.255	0.257	-1.749

	Cl1	O2	F3	F4	F5
Cl1		1.4684	1.7031	1.7620	1.7620
O2	1.4684		2.6010	2.4258	2.4258
F3	1.7031	2.6010		2.3697	2.3697
F4	1.7620	2.4258	2.3697		3.4972
F5	1.7620	2.4258	2.3697	3.4972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.972	O2	Cl1	F4	96.926
O2	Cl1	F5	96.926	F3	Cl1	F4	86.276
F3	Cl1	F5	86.276	F4	Cl1	F5	165.846

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

using model chemistry: PBEPBEultrafine/6-31G*

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	1.335
2	O	-0.360
3	F	-0.265
4	F	-0.355
5	F	-0.355

	x	y	z	Total
	0.911	0.415	0.000	1.001
CHELPG
AIM
ESP

	x	y	z
x	3.073	-0.668	0.000
y	-0.668	3.836	0.000
z	0.000	0.000	5.303

<r²>	115.235
(<r²>)^1/2	10.735

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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