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	hartrees
Energy at 0K	-175.473448
Energy at 298.15K
HF Energy	-175.473448
Nuclear repulsion energy	34.006276

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'	3771	3626	34.51	45.57	0.29	0.45
2	A'	1434	1379	60.52	3.79	0.60	0.75
3	A'	1030	990	4.14	8.68	0.27	0.42

Atom	x (Å)	y (Å)
O1	0.053	0.697
H2	-0.904	0.844
F3	0.053	-0.713

	O1	H2	F3
O1		0.9690	1.4095
H2	0.9690		1.8281
F3	1.4095	1.8281

Number	Element	Mulliken
1	O	-0.188
2	H	0.352
3	F	-0.163

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

using model chemistry: B3PW91/6-31G(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
	-1.670	0.797	0.000	1.851
CHELPG
AIM
ESP

	x	y	z
x	1.204	-0.151	0.000
y	-0.151	1.788	0.000
z	0.000	0.000	0.849

<r²>	16.093
(<r²>)^1/2	4.012