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	hartrees
Energy at 0K	-832.274724
Energy at 298.15K	-832.277543
HF Energy	-832.274724
Nuclear repulsion energy	305.027994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1315	1190	168.91
2	A'	900	815	137.61
3	A'	606	548	25.04
4	A'	594	538	15.53
5	A'	408	369	12.25
6	A'	281	254	2.60
7	A"	761	689	697.66
8	A"	606	549	48.39
9	A"	531	480	0.15

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.284	0.054	0.000
O2	0.207	-1.329	0.000
F3	-1.133	0.655	0.000
F4	0.207	0.212	1.642
F5	0.207	0.212	-1.642

	Cl1	O2	F3	F4	F5
Cl1		1.3851	1.5385	1.6517	1.6517
O2	1.3851		2.3932	2.2517	2.2517
F3	1.5385	2.3932		2.1651	2.1651
F4	1.6517	2.2517	2.1651		3.2847
F5	1.6517	2.2517	2.1651	3.2847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.775	O2	Cl1	F4	95.312
O2	Cl1	F5	95.312	F3	Cl1	F4	85.402
F3	Cl1	F5	85.402	F4	Cl1	F5	167.814

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

using model chemistry: HF/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	1.244
2	O	-0.321
3	F	-0.163
4	F	-0.380
5	F	-0.380

	x	y	z	Total
	0.548	1.162	0.000	1.285
CHELPG
AIM
ESP

	x	y	z
x	2.855	-0.426	0.000
y	-0.426	3.413	0.000
z	0.000	0.000	4.507

<r²>	101.993
(<r²>)^1/2	10.099

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

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

States and conformations

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