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	hartrees
Energy at 0K	-834.857653
Energy at 298.15K	-834.859799
HF Energy	-834.857653
Nuclear repulsion energy	290.434244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1237	1191	125.39
2	A'	692	666	137.91
3	A'	477	459	8.80
4	A'	471	454	28.34
5	A'	303	292	7.73
6	A'	220	212	3.97
7	A"	677	652	572.83
8	A"	488	470	22.06
9	A"	395	380	1.31

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.292	0.052	0.000
O2	0.242	-1.377	0.000
F3	-1.251	0.657	0.000
F4	0.242	0.235	1.726
F5	0.242	0.235	-1.726

	Cl1	O2	F3	F4	F5
Cl1		1.4295	1.6569	1.7360	1.7360
O2	1.4295		2.5227	2.3612	2.3612
F3	1.6569	2.5227		2.3203	2.3203
F4	1.7360	2.3612	2.3203		3.4513
F5	1.7360	2.3612	2.3203	3.4513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.422	O2	Cl1	F4	95.994
O2	Cl1	F5	95.994	F3	Cl1	F4	86.259
F3	Cl1	F5	86.259	F4	Cl1	F5	167.448

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

using model chemistry: B3LYP/Def2TZVPP

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	0.968
2	O	-0.220
3	F	-0.132
4	F	-0.309
5	F	-0.309

	x	y	z	Total
	0.748	0.339	0.000	0.822
CHELPG
AIM
ESP

	x	y	z
x	3.280	-0.590	0.000
y	-0.590	3.891	0.000
z	0.000	0.000	5.682

<r²>	111.587
(<r²>)^1/2	10.563

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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