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	hartrees
Energy at 0K	-830.300988
Energy at 298.15K	-830.303073
HF Energy	-830.300988
Nuclear repulsion energy	288.238879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1143	1097	83.93
2	A'	713	684	93.46
3	A'	521	500	2.08
4	A'	445	427	29.02
5	A'	284	272	9.95
6	A'	198	190	1.78
7	A"	777	746	384.46
8	A"	463	444	0.41
9	A"	370	355	0.04

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.300	0.045	0.000
O2	0.235	-1.412	0.000
F3	-1.246	0.672	0.000
F4	0.235	0.249	1.713
F5	0.235	0.249	-1.713

	Cl1	O2	F3	F4	F5
Cl1		1.4578	1.6691	1.7263	1.7263
O2	1.4578		2.5570	2.3857	2.3857
F3	1.6691	2.5570		2.3039	2.3039
F4	1.7263	2.3857	2.3039		3.4258
F5	1.7263	2.3857	2.3039	3.4258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.532	O2	Cl1	F4	96.692
O2	Cl1	F5	96.692	F3	Cl1	F4	85.443
F3	Cl1	F5	85.443	F4	Cl1	F5	165.732

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

using model chemistry: B3PW91/3-21G*

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	1.296
2	O	-0.371
3	F	-0.249
4	F	-0.338
5	F	-0.338

	x	y	z	Total
	1.092	0.780	0.000	1.342
CHELPG
AIM
ESP

	x	y	z
x	2.233	-0.637	0.000
y	-0.637	3.000	0.000
z	0.000	0.000	4.209

<r²>	111.504
(<r²>)^1/2	10.560

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

using model chemistry: B3PW91/3-21G*

States and conformations

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