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	hartrees
Energy at 0K	-174.403873
Energy at 298.15K
HF Energy	-174.403873
Nuclear repulsion energy	31.970909

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'	3236	3206	2.11	63.91	0.36	0.53
2	A'	1248	1237	55.91	9.62	0.68	0.81
3	A'	987	978	0.47	5.48	0.32	0.49

Atom	x (Å)	y (Å)
O1	0.056	0.747
H2	-0.958	0.853
F3	0.056	-0.758

	O1	H2	F3
O1		1.0195	1.5049
H2	1.0195		1.9041
F3	1.5049	1.9041

Number	Element	Mulliken
1	O	-0.259
2	H	0.368
3	F	-0.109

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

using model chemistry: PBEPBE/3-21G

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
	-1.909	0.778	0.000	2.062
CHELPG
AIM
ESP

	x	y	z
x	0.887	-0.210	0.000
y	-0.210	1.549	0.000
z	0.000	0.000	0.129

<r²>	17.281
(<r²>)^1/2	4.157