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	hartrees
Energy at 0K	-175.312828
Energy at 298.15K
HF Energy	-175.312828
Nuclear repulsion energy	32.526190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3584	3426	17.92	65.69	0.35	0.52
2	A'	1345	1286	58.67	7.47	0.72	0.84
3	A'	955	913	2.77	10.32	0.32	0.48

Atom	x (Å)	y (Å)
O1	0.054	0.733
H2	-0.922	0.873
F3	0.054	-0.749

	O1	H2	F3
O1		0.9863	1.4815
H2	0.9863		1.8928
F3	1.4815	1.8928

Number	Element	Mulliken
1	O	-0.260
2	H	0.420
3	F	-0.161

All results from a given calculation for HOF (Hypofluorous acid)

using model chemistry: PBE1PBE/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	Total
	-2.146	0.989	0.000	2.363
CHELPG
AIM
ESP

	x	y	z
x	0.866	-0.191	0.000
y	-0.191	1.810	0.000
z	0.000	0.000	0.230

<r²>	17.213
(<r²>)^1/2	4.149