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	hartrees
Energy at 0K	-175.555723
Energy at 298.15K
HF Energy	-175.555723
Nuclear repulsion energy	34.110270

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'	3813	3813	47.33	48.45	0.21	0.35
2	A'	1451	1451	56.63	3.11	0.48	0.65
3	A'	1032	1032	8.63	11.89	0.25	0.40

Atom	x (Å)	y (Å)
O1	0.053	0.694
H2	-0.900	0.848
F3	0.053	-0.711

	O1	H2	F3
O1		0.9656	1.4049
H2	0.9656		1.8275
F3	1.4049	1.8275

Number	Element	Mulliken
1	O	-0.085
2	H	0.248
3	F	-0.163

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

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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
	-1.706	0.887	0.000	1.922
CHELPG
AIM
ESP

	x	y	z
x	1.380	-0.124	0.000
y	-0.124	2.080	0.000
z	0.000	0.000	1.207

<r²>	16.334
(<r²>)^1/2	4.042