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	hartrees
Energy at 0K	-175.483599
Energy at 298.15K
HF Energy	-175.483599
Nuclear repulsion energy	33.193504

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'	3619	3619	30.15	59.03	0.18	0.31
2	A'	1370	1370	54.38	3.89	0.37	0.54
3	A'	917	917	7.94	9.87	0.21	0.35

Atom	x (Å)	y (Å)
O1	0.054	0.717
H2	-0.917	0.850
F3	0.054	-0.732

	O1	H2	F3
O1		0.9796	1.4484
H2	0.9796		1.8560
F3	1.4484	1.8560

Number	Element	Mulliken
1	O	-0.216
2	H	0.282
3	F	-0.067

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

using model chemistry: B97D3/daug-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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.632	0.902	0.000	1.865
CHELPG
AIM
ESP

	x	y	z
x	1.660	-0.129	0.000
y	-0.129	2.352	0.000
z	0.000	0.000	1.483

<r²>	16.968
(<r²>)^1/2	4.119