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	hartrees
Energy at 0K	-175.504697
Energy at 298.15K
HF Energy	-175.341062
Nuclear repulsion energy	33.611183

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'	3765	3613	43.15	44.15	0.29	0.45
2	A'	1408	1350	59.58	3.60	0.66	0.80
3	A'	975	936	5.09	9.66	0.28	0.44

Atom	x (Å)	y (Å)
O1	0.053	0.707
H2	-0.905	0.843
F3	0.053	-0.723

	O1	H2	F3
O1		0.9681	1.4300
H2	0.9681		1.8358
F3	1.4300	1.8358

Number	Element	Mulliken
1	O	-0.116
2	H	0.246
3	F	-0.130

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

using model chemistry: B2PLYP/cc-pVTZ

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
	-1.730	0.894	0.000	1.948
CHELPG
AIM
ESP

	x	y	z
x	1.144	-0.146	-0.000
y	-0.146	1.898	0.000
z	-0.000	0.000	0.765

<r²>	16.548
(<r²>)^1/2	4.068