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	hartrees
Energy at 0K	-834.633203
Energy at 298.15K	-834.635281
HF Energy	-834.633203
Nuclear repulsion energy	287.148075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1206	1151	130.71
2	A'	676	645	126.21
3	A'	486	464	8.24
4	A'	451	431	33.55
5	A'	294	280	10.29
6	A'	204	195	3.80
7	A"	718	685	514.10
8	A"	477	455	2.18
9	A"	379	362	0.17

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.294	0.042	0.000
O2	0.243	-1.384	0.000
F3	-1.257	0.661	0.000
F4	0.243	0.245	1.742
F5	0.243	0.245	-1.742

	Cl1	O2	F3	F4	F5
Cl1		1.4274	1.6702	1.7545	1.7545
O2	1.4274		2.5367	2.3854	2.3854
F3	1.6702	2.5367		2.3364	2.3364
F4	1.7545	2.3854	2.3364		3.4839
F5	1.7545	2.3854	2.3364	3.4839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.709	O2	Cl1	F4	96.588
O2	Cl1	F5	96.588	F3	Cl1	F4	85.999
F3	Cl1	F5	85.999	F4	Cl1	F5	166.287

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

using model chemistry: mPW1PW91/6-311G*

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	1.309
2	O	-0.286
3	F	-0.244
4	F	-0.389
5	F	-0.389

	x	y	z	Total
	1.152	0.366	0.000	1.209
CHELPG
AIM
ESP

	x	y	z
x	2.745	-0.726	0.000
y	-0.726	3.494	0.000
z	0.000	0.000	5.197

<r²>	113.721
(<r²>)^1/2	10.664

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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