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	hartrees
Energy at 0K	-834.311971
Energy at 298.15K	-834.313259
HF Energy	-834.311971
Nuclear repulsion energy	263.354892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	843	798	31.27
2	A'	585	554	48.75
3	A'	448	424	3.07
4	A'	317	300	28.05
5	A'	210	199	9.49
6	A'	131	124	2.31
7	A"	694	657	241.84
8	A"	325	307	1.90
9	A"	274	260	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.340	0.053	0.000
O2	0.231	-1.579	0.000
F3	-1.309	0.846	0.000
F4	0.231	0.229	1.860
F5	0.231	0.229	-1.860

	Cl1	O2	F3	F4	F5
Cl1		1.6354	1.8304	1.8711	1.8711
O2	1.6354		2.8726	2.5936	2.5936
F3	1.8304	2.8726		2.4918	2.4918
F4	1.8711	2.5936	2.4918		3.7190
F5	1.8711	2.5936	2.4918	3.7190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	111.836	O2	Cl1	F4	95.166
O2	Cl1	F5	95.166	F3	Cl1	F4	84.618
F3	Cl1	F5	84.618	F4	Cl1	F5	167.251

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	1.335
2	O	-0.382
3	F	-0.248
4	F	-0.353
5	F	-0.353

	x	y	z	Total
	1.618	0.510	0.000	1.696
CHELPG
AIM
ESP

	x	y	z
x	2.927	-1.208	0.000
y	-1.208	4.528	0.000
z	0.000	0.000	6.583

<r²>	130.156
(<r²>)^1/2	11.409

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)