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	hartrees
Energy at 0K	-175.402191
Energy at 298.15K
HF Energy	-175.402191
Nuclear repulsion energy	33.168278

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'	3594	3594	31.16	60.74	0.18	0.30
2	A'	1355	1355	55.04	4.02	0.37	0.54
3	A'	929	929	7.19	9.56	0.21	0.35

Atom	x (Å)	y (Å)
O1	0.054	0.717
H2	-0.921	0.852
F3	0.054	-0.732

	O1	H2	F3
O1		0.9843	1.4484
H2	0.9843		1.8593
F3	1.4484	1.8593

Number	Element	Mulliken
1	O	-0.218
2	H	0.274
3	F	-0.056

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

using model chemistry: PBEPBEultrafine/daug-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
	-1.635	0.875	0.000	1.854
CHELPG
AIM
ESP

	x	y	z
x	1.690	-0.130	0.000
y	-0.130	2.364	0.000
z	0.000	0.000	1.514

<r²>	17.055
(<r²>)^1/2	4.130