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	hartrees
Energy at 0K	-200.657791
Energy at 298.15K	-200.659289
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	32.735459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3731	3678	289.88
2	A'	3664	3612	0.04
3	A'	923	909	0.00
4	A'	267	263	1.88
5	A'	255	251	608.96
6	A"	559	551	291.31

Atom	x (Å)	y (Å)
H1	-0.671	-0.553
F2	0.000	1.230
H3	0.669	0.552
F4	0.000	-1.230

	H1	F2	H3	F4
H1		1.9052	1.7367	0.9526
F2	1.9052		0.9524	2.4595
H3	1.7367	0.9524		1.9029
F4	0.9526	2.4595	1.9029

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H1	F2	H3	65.229		H1	F4	H3	65.345
F2	H1	F4	114.618		F2	H3	F4	114.807

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

using model chemistry: PBEPBE/6-31G*

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	0.452
2	F	-0.452
3	H	0.452
4	F	-0.452

	x	y	z	Total
	-0.004	-0.005	0.000	0.007
CHELPG
AIM
ESP

	x	y	z
x	1.098	-0.073	0.000
y	-0.073	1.462	0.000
z	0.000	0.000	0.575

<r²>	35.852
(<r²>)^1/2	5.988

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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