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	hartrees
Energy at 0K	-834.462890
Energy at 298.15K	-834.465399
HF Energy	-834.462890
Nuclear repulsion energy	297.412053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1272	1211	121.89
2	A'	800	762	120.39
3	A'	552	526	4.76
4	A'	529	504	26.02
5	A'	354	337	8.01
6	A'	242	230	2.10
7	A"	753	717	553.24
8	A"	544	518	6.93
9	A"	462	440	0.04

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.293	0.053	0.000
O2	0.218	-1.357	0.000
F3	-1.183	0.662	0.000
F4	0.218	0.222	1.678
F5	0.218	0.222	-1.678

	Cl1	O2	F3	F4	F5
Cl1		1.4114	1.5966	1.6882	1.6882
O2	1.4114		2.4572	2.3042	2.3042
F3	1.5966	2.4572		2.2299	2.2299
F4	1.6882	2.3042	2.2299		3.3560
F5	1.6882	2.3042	2.2299	3.3560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.399	O2	Cl1	F4	95.627
O2	Cl1	F5	95.627	F3	Cl1	F4	85.459
F3	Cl1	F5	85.459	F4	Cl1	F5	167.393

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

using model chemistry: M06-2X/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	0.930
2	O	-0.210
3	F	-0.135
4	F	-0.292
5	F	-0.292

	x	y	z	Total
	0.649	0.794	0.000	1.025
CHELPG
AIM
ESP

	x	y	z
x	3.130	-0.485	0.000
y	-0.485	3.737	0.000
z	0.000	0.000	4.904

<r²>	105.962
(<r²>)^1/2	10.294

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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