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	hartrees
Energy at 0K	-200.129251
Energy at 298.15K	-200.130180
HF Energy	-200.129251
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	29.796162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4429	4006	160.01
2	A'	4373	3956	460.33
3	A'	497	449	212.92
4	A'	195	176	144.34
5	A'	135	122	7.25
6	A"	427	386	217.08

Atom	x (Å)	y (Å)
H1	0.137	0.585
F2	0.034	-1.347
H3	-0.745	-1.800
F4	0.034	1.482

	H1	F2	H3	F4
H1		1.9339	2.5425	0.9030
F2	1.9339		0.9014	2.8282
H3	2.5425	0.9014		3.3728
F4	0.9030	2.8282	3.3728

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H1	F2	H3	123.254		H1	F4	H3	19.917
F2	H1	F4	170.380		F2	H3	F4	46.449

All results from a given calculation for H₂F₂ (Hydrogen fluoride dimer)

using model chemistry: HF/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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Number	Element	Mulliken
1	H	0.691
2	F	-0.552
3	H	0.438
4	F	-0.577

	x	y	z	Total
	-1.455	-3.203	0.000	3.518
CHELPG
AIM
ESP

	x	y	z
x	1.389	0.072	0.000
y	0.072	1.631	0.000
z	0.000	0.000	1.266

<r²>	46.922
(<r²>)^1/2	6.850

All results from a given calculation for H2F2 (Hydrogen fluoride dimer)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂F₂ (Hydrogen fluoride dimer)