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	hartrees
Energy at 0K	-175.573717
Energy at 298.15K
HF Energy	-175.573717
Nuclear repulsion energy	33.429195

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'	3666	3531	15.36	53.55	0.37	0.54
2	A'	1422	1370	50.79	7.25	0.72	0.84
3	A'	950	915	6.23	10.44	0.32	0.48

Atom	x (Å)	y (Å)
O1	0.054	0.711
H2	-0.910	0.853
F3	0.054	-0.727

	O1	H2	F3
O1		0.9740	1.4373
H2	0.9740		1.8499
F3	1.4373	1.8499

Number	Element	Mulliken
1	O	-0.272
2	H	0.422
3	F	-0.151

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

using model chemistry: TPSSh/6-311G*

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
	-1.927	0.948	0.000	2.147
CHELPG
AIM
ESP

	x	y	z
x	0.960	-0.168	0.000
y	-0.168	1.729	0.000
z	0.000	0.000	0.486

<r²>	16.630
(<r²>)^1/2	4.078