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	hartrees
Energy at 0K	-834.257356
Energy at 298.15K	-834.259463
HF Energy	-834.257356
Nuclear repulsion energy	286.980249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1204	1156	130.31
2	A'	691	663	136.47
3	A'	486	467	7.15
4	A'	457	438	34.08
5	A'	294	282	10.19
6	A'	210	201	4.59
7	A"	698	670	572.71
8	A"	476	457	7.61
9	A"	384	369	0.46

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.291	0.050	0.000
O2	0.248	-1.387	0.000
F3	-1.265	0.632	0.000
F4	0.248	0.253	1.743
F5	0.248	0.253	-1.743

	Cl1	O2	F3	F4	F5
Cl1		1.4378	1.6613	1.7548	1.7548
O2	1.4378		2.5225	2.3925	2.3925
F3	1.6613	2.5225		2.3385	2.3385
F4	1.7548	2.3925	2.3385		3.4851
F5	1.7548	2.3925	2.3385	3.4851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	108.756	O2	Cl1	F4	96.573
O2	Cl1	F5	96.573	F3	Cl1	F4	86.357
F3	Cl1	F5	86.357	F4	Cl1	F5	166.458

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

using model chemistry: PBE1PBE/TZVP

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	1.055
2	O	-0.186
3	F	-0.171
4	F	-0.349
5	F	-0.349

	x	y	z	Total
	1.034	0.379	0.000	1.101
CHELPG
AIM
ESP

	x	y	z
x	3.110	-0.704	0.000
y	-0.704	3.902	0.000
z	0.000	0.000	5.758

<r²>	113.945
(<r²>)^1/2	10.674

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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