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	hartrees
Energy at 0K	-834.675702
Energy at 298.15K	-834.677784
HF Energy	-834.675702
Nuclear repulsion energy	287.965820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1213	1163	132.47
2	A'	680	651	127.10
3	A'	485	465	7.88
4	A'	453	435	33.91
5	A'	295	283	10.84
6	A'	204	196	3.80
7	A"	715	686	519.40
8	A"	476	456	1.95
9	A"	380	364	0.14

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.296	0.040	0.000
O2	0.238	-1.383	0.000
F3	-1.246	0.669	0.000
F4	0.238	0.242	1.737
F5	0.238	0.242	-1.737

	Cl1	O2	F3	F4	F5
Cl1		1.4242	1.6658	1.7500	1.7500
O2	1.4242		2.5323	2.3784	2.3784
F3	1.6658	2.5323		2.3247	2.3247
F4	1.7500	2.3784	2.3247		3.4748
F5	1.7500	2.3784	2.3247	3.4748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.833	O2	Cl1	F4	96.522
O2	Cl1	F5	96.522	F3	Cl1	F4	85.739
F3	Cl1	F5	85.739	F4	Cl1	F5	166.241

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

using model chemistry: B1B95/6-311G*

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	1.303
2	O	-0.283
3	F	-0.243
4	F	-0.389
5	F	-0.389

	x	y	z	Total
	1.182	0.360	0.000	1.236
CHELPG
AIM
ESP

	x	y	z
x	2.718	-0.719	0.000
y	-0.719	3.482	0.000
z	0.000	0.000	5.158

<r²>	113.133
(<r²>)^1/2	10.636

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

using model chemistry: B1B95/6-311G*

States and conformations

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