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	hartrees
Energy at 0K	-175.518122
Energy at 298.15K
HF Energy	-175.518122
Nuclear repulsion energy	33.935440

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'	3781	3623	44.67	53.32	0.19	0.32
2	A'	1440	1380	56.65	3.22	0.45	0.62
3	A'	1017	974	9.21	11.91	0.25	0.40

Atom	x (Å)	y (Å)
O1	0.053	0.698
H2	-0.905	0.847
F3	0.053	-0.715

	O1	H2	F3
O1		0.9703	1.4125
H2	0.9703		1.8328
F3	1.4125	1.8328

Number	Element	Mulliken
1	O	0.020
2	H	0.232
3	F	-0.252

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

using model chemistry: mPW1PW91/aug-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
	-1.703	0.898	0.000	1.925
CHELPG
AIM
ESP

	x	y	z
x	1.435	-0.134	0.000
y	-0.134	2.135	0.000
z	0.000	0.000	1.219

<r²>	16.471
(<r²>)^1/2	4.058