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	hartrees
Energy at 0K	-200.880930
Energy at 298.15K	-200.882181
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	32.383500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3982	3843	0.00
2	A_g	790	763	0.00
3	A_g	250	241	0.00
4	A_u	494	476	270.80
5	B_u	4021	3881	247.36
6	B_u	152	147	551.91

Atom	x (Å)	y (Å)
H1	-0.676	0.624
F2	0.000	1.257
H3	0.676	-0.624
F4	0.000	-1.257

	H1	F2	H3	F4
H1		0.9262	1.8395	1.9989
F2	0.9262		1.9989	2.5146
H3	1.8395	1.9989		0.9262
F4	1.9989	2.5146	0.9262

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H1	F2	H3	66.613		H1	F4	H3	66.613
F2	H1	F4	113.387		F2	H3	F4	113.387

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.328
2	F	-0.328
3	H	0.328
4	F	-0.328

	x	y	z
x	1.280	0.092	0.000
y	0.092	1.529	0.000
z	0.000	0.000	0.892

<r²>	37.168
(<r²>)^1/2	6.097

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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