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	hartrees
Energy at 0K	-834.728273
Energy at 298.15K	-834.730135
HF Energy	-834.728273
Nuclear repulsion energy	282.322058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1151	1151	110.53
2	A'	625	625	109.66
3	A'	458	458	8.35
4	A'	413	413	28.62
5	A'	267	267	9.03
6	A'	185	185	3.53
7	A"	697	697	441.18
8	A"	443	443	0.67
9	A"	342	342	0.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.296	0.040	0.000
O2	0.253	-1.404	0.000
F3	-1.291	0.670	0.000
F4	0.253	0.252	1.769
F5	0.253	0.252	-1.769

	Cl1	O2	F3	F4	F5
Cl1		1.4447	1.7073	1.7824	1.7824
O2	1.4447		2.5857	2.4236	2.4236
F3	1.7073	2.5857		2.3850	2.3850
F4	1.7824	2.4236	2.3850		3.5383
F5	1.7824	2.4236	2.3850	3.5383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.957	O2	Cl1	F4	96.801
O2	Cl1	F5	96.801	F3	Cl1	F4	86.197
F3	Cl1	F5	86.197	F4	Cl1	F5	166.033

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

using model chemistry: TPSSh/6-311G**

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	1.260
2	O	-0.264
3	F	-0.245
4	F	-0.375
5	F	-0.375

	x	y	z	Total
	1.195	0.189	0.000	1.210
CHELPG
AIM
ESP

	x	y	z
x	2.894	-0.779	0.000
y	-0.779	3.646	0.000
z	0.000	0.000	5.516

<r²>	116.957
(<r²>)^1/2	10.815

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

using model chemistry: TPSSh/6-311G**

States and conformations

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