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	hartrees
Energy at 0K	-831.825704
Energy at 298.15K	-831.827606
HF Energy	-831.825704
Nuclear repulsion energy	285.637379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1185	1167	102.35
2	A'	673	663	128.29
3	A'	483	476	10.43
4	A'	416	410	24.75
5	A'	267	263	8.48
6	A'	183	181	3.38
7	A"	701	691	515.76
8	A"	437	431	0.67
9	A"	348	343	0.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.291	0.046	0.000
O2	0.252	-1.402	0.000
F3	-1.279	0.640	0.000
F4	0.252	0.260	1.741
F5	0.252	0.260	-1.741

	Cl1	O2	F3	F4	F5
Cl1		1.4482	1.6781	1.7543	1.7543
O2	1.4482		2.5523	2.4067	2.4067
F3	1.6781	2.5523		2.3493	2.3493
F4	1.7543	2.4067	2.3493		3.4816
F5	1.7543	2.4067	2.3493	3.4816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.233	O2	Cl1	F4	96.976
O2	Cl1	F5	96.976	F3	Cl1	F4	86.351
F3	Cl1	F5	86.351	F4	Cl1	F5	165.753

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

using model chemistry: LSDA/6-31+G**

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	1.368
2	O	-0.324
3	F	-0.282
4	F	-0.381
5	F	-0.381

	x	y	z	Total
	1.054	0.177	0.000	1.068
CHELPG
AIM
ESP

	x	y	z
x	3.842	-0.670	0.000
y	-0.670	4.591	0.000
z	0.000	0.000	6.448

<r²>	114.735
(<r²>)^1/2	10.711

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

using model chemistry: LSDA/6-31+G**

States and conformations

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