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	hartrees
Energy at 0K	-830.442469
Energy at 298.15K	-830.444674
HF Energy	-830.442469
Nuclear repulsion energy	291.266758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1169	1116	91.33
2	A'	744	710	96.96
3	A'	539	515	2.19
4	A'	463	443	31.13
5	A'	303	289	11.33
6	A'	205	196	1.70
7	A"	794	759	408.53
8	A"	478	456	0.92
9	A"	394	377	0.06

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.304	0.043	0.000
O2	0.221	-1.403	0.000
F3	-1.215	0.690	0.000
F4	0.221	0.239	1.695
F5	0.221	0.239	-1.695

	Cl1	O2	F3	F4	F5
Cl1		1.4485	1.6511	1.7083	1.7083
O2	1.4485		2.5387	2.3600	2.3600
F3	1.6511	2.5387		2.2670	2.2670
F4	1.7083	2.3600	2.2670		3.3901
F5	1.7083	2.3600	2.2670	3.3901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	Cl1	F3	109.807	O2	Cl1	F4	96.415
O2	Cl1	F5	96.415	F3	Cl1	F4	84.863
F3	Cl1	F5	84.863	F4	Cl1	F5	165.696

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

using model chemistry: B1B95/3-21G*

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	1.321
2	O	-0.376
3	F	-0.253
4	F	-0.346
5	F	-0.346

	x	y	z	Total
	1.130	0.830	0.000	1.402
CHELPG
AIM
ESP

	x	y	z
x	2.155	-0.619	0.000
y	-0.619	2.961	0.000
z	0.000	0.000	4.064

<r²>	109.489
(<r²>)^1/2	10.464

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

using model chemistry: B1B95/3-21G*

States and conformations

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