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	hartrees
Energy at 0K	-175.426916
Energy at 298.15K
HF Energy	-175.426916
Nuclear repulsion energy	34.144394

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'	3808	3808	47.35	48.95	0.21	0.35
2	A'	1452	1452	56.96	3.17	0.48	0.65
3	A'	1037	1037	8.42	11.69	0.25	0.40

Atom	x (Å)	y (Å)
O1	0.053	0.693
H2	-0.901	0.846
F3	0.053	-0.710

	O1	H2	F3
O1		0.9665	1.4031
H2	0.9665		1.8256
F3	1.4031	1.8256

Number	Element	Mulliken
1	O	-0.092
2	H	0.256
3	F	-0.164

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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
	-1.704	0.875	0.000	1.916
CHELPG
AIM
ESP

	x	y	z
x	1.383	-0.124	0.000
y	-0.124	2.070	0.000
z	0.000	0.000	1.210

<r²>	16.326
(<r²>)^1/2	4.041