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	hartrees
Energy at 0K	-834.126934
Energy at 298.15K	-834.129201
HF Energy	-834.126934
Nuclear repulsion energy	290.826979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1217	1161	116.09
2	A'	745	711	117.19
3	A'	539	514	6.26
4	A'	473	452	27.49
5	A'	321	306	8.64
6	A'	206	196	1.84
7	A"	778	743	495.14
8	A"	495	472	0.15
9	A"	413	394	0.01

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.297	0.046	0.000
O2	0.229	-1.392	0.000
F3	-1.221	0.690	0.000
F4	0.229	0.230	1.706
F5	0.229	0.230	-1.706

	Cl1	O2	F3	F4	F5
Cl1		1.4397	1.6487	1.7175	1.7175
O2	1.4397		2.5373	2.3541	2.3541
F3	1.6487	2.5373		2.2860	2.2860
F4	1.7175	2.3541	2.2860		3.4126
F5	1.7175	2.3541	2.2860	3.4126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	110.299	O2	Cl1	F4	96.025
O2	Cl1	F5	96.025	F3	Cl1	F4	85.520
F3	Cl1	F5	85.520	F4	Cl1	F5	166.910

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

using model chemistry: HSEh1PBE/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	1.501
2	O	-0.413
3	F	-0.288
4	F	-0.400
5	F	-0.400

	x	y	z	Total
	0.917	0.695	0.000	1.150
CHELPG
AIM
ESP

	x	y	z
x	2.841	-0.624	0.000
y	-0.624	3.635	0.000
z	0.000	0.000	4.829

<r²>	110.102
(<r²>)^1/2	10.493

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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