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	hartrees
Energy at 0K	-831.885296
Energy at 298.15K	-831.887225
HF Energy	-831.885296
Nuclear repulsion energy	283.718951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1158	1145	86.96
2	A'	672	665	114.26
3	A'	493	488	10.80
4	A'	412	407	19.89
5	A'	268	265	6.28
6	A'	186	184	2.70
7	A"	719	711	490.30
8	A"	440	435	0.49
9	A"	338	335	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.291	0.054	0.000
O2	0.259	-1.406	0.000
F3	-1.298	0.635	0.000
F4	0.259	0.256	1.751
F5	0.259	0.256	-1.751

	Cl1	O2	F3	F4	F5
Cl1		1.4603	1.6921	1.7632	1.7632
O2	1.4603		2.5676	2.4145	2.4145
F3	1.6921	2.5676		2.3741	2.3741
F4	1.7632	2.4145	2.3741		3.5024
F5	1.7632	2.4145	2.3741	3.5024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	108.853	O2	Cl1	F4	96.567
O2	Cl1	F5	96.567	F3	Cl1	F4	86.777
F3	Cl1	F5	86.777	F4	Cl1	F5	166.658

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

using model chemistry: LSDA/aug-cc-pVDZ

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	1.614
2	O	-0.469
3	F	-0.337
4	F	-0.404
5	F	-0.404

	x	y	z	Total
	0.940	0.184	0.000	0.958
CHELPG
AIM
ESP

	x	y	z
x	4.239	-0.660	0.000
y	-0.660	4.865	0.000
z	0.000	0.000	6.813

<r²>	115.733
(<r²>)^1/2	10.758

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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