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	hartrees
Energy at 0K	-175.557791
Energy at 298.15K
HF Energy	-175.557791
Nuclear repulsion energy	34.045743

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'	3806	3806	43.80	53.77	0.17	0.30
2	A'	1441	1441	56.33	3.02	0.36	0.53
3	A'	1036	1036	9.79	12.14	0.23	0.37

Atom	x (Å)	y (Å)
O1	0.053	0.695
H2	-0.901	0.850
F3	0.053	-0.713

	O1	H2	F3
O1		0.9660	1.4079
H2	0.9660		1.8305
F3	1.4079	1.8305

Number	Element	Mulliken
1	O	-0.146
2	H	0.415
3	F	-0.269

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

using model chemistry: wB97X-D/daug-cc-pVTZ

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
	-1.681	0.879	0.000	1.897
CHELPG
AIM
ESP

	x	y	z
x	1.556	-0.123	0.000
y	-0.123	2.243	0.000
z	0.000	0.000	1.387

<r²>	16.365
(<r²>)^1/2	4.045