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	hartrees
Energy at 0K	-834.595548
Energy at 298.15K	-834.597601
HF Energy	-834.595548
Nuclear repulsion energy	286.705078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1165	1118	100.71
2	A'	695	667	104.79
3	A'	506	485	5.83
4	A'	440	422	24.38
5	A'	297	285	7.72
6	A'	189	181	1.76
7	A"	749	719	436.43
8	A"	462	444	0.04
9	A"	381	365	0.01

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.299	0.043	0.000
O2	0.234	-1.411	0.000
F3	-1.242	0.705	0.000
F4	0.234	0.233	1.730
F5	0.234	0.233	-1.730

	Cl1	O2	F3	F4	F5
Cl1		1.4554	1.6777	1.7412	1.7412
O2	1.4554		2.5803	2.3863	2.3863
F3	1.6777	2.5803		2.3227	2.3227
F4	1.7412	2.3863	2.3227		3.4591
F5	1.7412	2.3863	2.3227	3.4591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	110.688	O2	Cl1	F4	96.167
O2	Cl1	F5	96.167	F3	Cl1	F4	85.566
F3	Cl1	F5	85.566	F4	Cl1	F5	166.749

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

using model chemistry: TPSSh/6-31G*

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	1.440
2	O	-0.394
3	F	-0.279
4	F	-0.384
5	F	-0.384

	x	y	z	Total
	0.957	0.555	0.000	1.106
CHELPG
AIM
ESP

	x	y	z
x	2.939	-0.671	0.000
y	-0.671	3.768	0.000
z	0.000	0.000	5.085

<r²>	112.703
(<r²>)^1/2	10.616

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

using model chemistry: TPSSh/6-31G*

States and conformations

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