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	hartrees
Energy at 0K	-175.453689
Energy at 298.15K
HF Energy	-175.453689
Nuclear repulsion energy	33.460311

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'	3646	3646	22.10	47.13	0.30	0.46
2	A'	1381	1381	57.36	4.40	0.59	0.74
3	A'	948	948	3.54	7.50	0.26	0.42

Atom	x (Å)	y (Å)
O1	0.054	0.710
H2	-0.913	0.846
F3	0.054	-0.725

	O1	H2	F3
O1		0.9756	1.4356
H2	0.9756		1.8445
F3	1.4356	1.8445

Number	Element	Mulliken
1	O	-0.186
2	H	0.335
3	F	-0.150

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

using model chemistry: B97D3/6-31G(2df,p)

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
	-1.619	0.793	0.000	1.803
CHELPG
AIM
ESP

	x	y	z
x	1.249	-0.153	0.000
y	-0.153	1.829	0.000
z	0.000	0.000	0.867

<r²>	16.409
(<r²>)^1/2	4.051