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	hartrees
Energy at 0K	-834.507655
Energy at 298.15K	-834.509917
HF Energy	-834.507655
Nuclear repulsion energy	290.906417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1214	1151	116.20
2	A'	746	708	117.46
3	A'	540	513	6.33
4	A'	475	450	27.84
5	A'	322	305	8.67
6	A'	206	196	1.85
7	A"	779	739	498.00
8	A"	496	471	0.16
9	A"	415	393	0.02

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.296	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		1.4396	1.6481	1.7168	1.7168
O2	1.4396		2.5369	2.3532	2.3532
F3	1.6481	2.5369		2.2857	2.2857
F4	1.7168	2.3532	2.2857		3.4115
F5	1.7168	2.3532	2.2857	3.4115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	110.309	O2	Cl1	F4	96.008
O2	Cl1	F5	96.008	F3	Cl1	F4	85.546
F3	Cl1	F5	85.546	F4	Cl1	F5	166.958

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

using model chemistry: mPW1PW91/6-31G*

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	1.513
2	O	-0.417
3	F	-0.290
4	F	-0.403
5	F	-0.403

	x	y	z	Total
	0.922	0.705	0.000	1.161
CHELPG
AIM
ESP

	x	y	z
x	2.835	-0.627	0.000
y	-0.627	3.631	0.000
z	0.000	0.000	4.824

<r²>	110.035
(<r²>)^1/2	10.490

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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