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	hartrees
Energy at 0K	-200.958029
Energy at 298.15K
HF Energy	-200.958029
Nuclear repulsion energy	31.153210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3984	3858	244.15
2	A'	3956	3831	8.77
3	A'	635	615	0.98
4	A'	168	163	0.38
5	A'	183i	177i	517.43
6	A"	452	438	309.42

Atom	x (Å)	y (Å)
H1	-0.702	-0.634
F2	0.003	1.253
H3	0.650	0.579
F4	0.003	-1.247

	H1	F2	H3	F4
H1		2.0141	1.8160	0.9343
F2	2.0141		0.9352	2.5003
H3	1.8160	0.9352		1.9371
F4	0.9343	2.5003	1.9371

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H1	F2	H3	64.305		H1	F4	H3	68.488
F2	H1	F4	110.565		F2	H3	F4	116.643

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

using model chemistry: TPSSh/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	0.331
2	F	-0.332
3	H	0.328
4	F	-0.327

	x	y	z	Total
	-0.135	-0.194	0.000	0.236
CHELPG
AIM
ESP

	x	y	z
x	1.296	-0.195	0.000
y	-0.195	1.461	0.000
z	0.000	0.000	0.825

<r²>	40.746
(<r²>)^1/2	6.383

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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