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	hartrees
Energy at 0K	-175.566337
Energy at 298.15K
HF Energy	-175.566337
Nuclear repulsion energy	34.030657

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'	3783	3783	45.26	54.31	0.18	0.31
2	A'	1439	1439	56.58	3.09	0.39	0.56
3	A'	1035	1035	9.04	11.77	0.24	0.38

Atom	x (Å)	y (Å)
O1	0.053	0.696
H2	-0.902	0.849
F3	0.053	-0.713

	O1	H2	F3
O1		0.9668	1.4085
H2	0.9668		1.8304
F3	1.4085	1.8304

Number	Element	Mulliken
1	O	-0.099
2	H	0.277
3	F	-0.179

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

using model chemistry: mPW1PW91/aug-cc-pCVTZ

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
	-1.685	0.883	0.000	1.902
CHELPG
AIM
ESP

	x	y	z
x	1.499	-0.130	0.000
y	-0.130	2.192	0.000
z	0.000	0.000	1.306

<r²>	16.394
(<r²>)^1/2	4.049