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	hartrees
Energy at 0K	-834.252124
Energy at 298.15K	-834.254203
HF Energy	-834.252124
Nuclear repulsion energy	286.936345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1207	1159	130.13
2	A'	674	647	125.50
3	A'	484	465	8.13
4	A'	449	431	33.12
5	A'	292	281	10.21
6	A'	203	195	3.78
7	A"	717	688	509.12
8	A"	475	456	2.11
9	A"	377	362	0.16

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.294	0.042	0.000
O2	0.243	-1.385	0.000
F3	-1.259	0.661	0.000
F4	0.243	0.246	1.743
F5	0.243	0.246	-1.743

	Cl1	O2	F3	F4	F5
Cl1		1.4278	1.6718	1.7560	1.7560
O2	1.4278		2.5381	2.3873	2.3873
F3	1.6718	2.5381		2.3384	2.3384
F4	1.7560	2.3873	2.3384		3.4866
F5	1.7560	2.3873	2.3384	3.4866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.692	O2	Cl1	F4	96.610
O2	Cl1	F5	96.610	F3	Cl1	F4	85.993
F3	Cl1	F5	85.993	F4	Cl1	F5	166.244

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

using model chemistry: HSEh1PBE/6-311G**

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	1.298
2	O	-0.282
3	F	-0.243
4	F	-0.386
5	F	-0.386

	x	y	z	Total
	1.149	0.353	0.000	1.202
CHELPG
AIM
ESP

	x	y	z
x	2.753	-0.723	0.000
y	-0.723	3.499	0.000
z	0.000	0.000	5.206

<r²>	113.885
(<r²>)^1/2	10.672

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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