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	hartrees
Energy at 0K	-823.974948
Energy at 298.15K	-823.975665
HF Energy	-823.974948
Nuclear repulsion energy	254.052610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	729	651	8.56
2	A'	532	475	9.41
3	A'	440	393	1.52
4	A'	259	231	5.49
5	A'	222	198	1.23
6	A'	83	74	0.13
7	A"	714	637	63.15
8	A"	278	248	1.62
9	A"	265	236	0.00

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.153	-0.389	0.000
O2	-1.601	-0.685	0.000
F3	0.828	1.426	0.000
F4	0.153	-0.041	1.872
F5	0.153	-0.041	-1.872

	Cl1	O2	F3	F4	F5
Cl1		1.7792	1.9368	1.9043	1.9043
O2	1.7792		3.2185	2.6454	2.6454
F3	1.9368	3.2185		2.4721	2.4721
F4	1.9043	2.6454	2.4721		3.7442
F5	1.9043	2.6454	2.4721	3.7442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	119.959	O2	Cl1	F4	91.744
O2	Cl1	F5	91.744	F3	Cl1	F4	80.113
F3	Cl1	F5	80.113	F4	Cl1	F5	158.889

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

using model chemistry: B3LYP/STO-3G

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	0.387
2	O	-0.132
3	F	-0.062
4	F	-0.096
5	F	-0.096

	x	y	z	Total
	0.715	-0.378	0.000	0.809
CHELPG
AIM
ESP

	x	y	z
x	2.799	1.571	0.000
y	1.571	2.131	0.000
z	0.000	0.000	4.612

<r²>	133.183
(<r²>)^1/2	11.540

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

using model chemistry: B3LYP/STO-3G

States and conformations

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