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	hartrees
Energy at 0K	-274.409705
Energy at 298.15K	-274.410478
HF Energy	-274.409705
Nuclear repulsion energy	72.460059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	982	966	8.17
2	A₁	444	436	0.61
3	B₂	827	814	106.04

Atom	y (Å)	z (Å)
O1	0.000	0.603
F2	1.128	-0.268
F3	-1.128	-0.268

	O1	F2	F3
O1		1.4253	1.4253
F2	1.4253		2.2566
F3	1.4253	2.2566

Number	Element	Mulliken
1	O	0.189
2	F	-0.095
3	F	-0.095

All results from a given calculation for F₂O (Difluorine monoxide)

using model chemistry: PBEPBEultrafine/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	0.736	0.000	0.000
y	0.000	2.492	-0.004
z	0.000	-0.004	1.357

<r²>	35.951
(<r²>)^1/2	5.996

All results from a given calculation for F2O (Difluorine monoxide)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for F₂O (Difluorine monoxide)