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	hartrees
Energy at 0K	-200.671890
Energy at 298.15K	-200.673420
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	32.728968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3827	3775	284.73
2	A'	3763	3711	0.00
3	A'	869	857	0.00
4	A'	292	288	599.70
5	A'	267	264	0.22
6	A"	546	539	280.02

Atom	x (Å)	y (Å)
H1	-0.661	-0.562
F2	0.000	1.235
H3	0.660	0.561
F4	0.000	-1.235

	H1	F2	H3	F4
H1		1.9153	1.7343	0.9435
F2	1.9153		0.9435	2.4702
H3	1.7343	0.9435		1.9133
F4	0.9435	2.4702	1.9133

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H1	F2	H3	64.588		H1	F4	H3	64.697
F2	H1	F4	115.272		F2	H3	F4	115.442

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	0.349
2	F	-0.349
3	H	0.349
4	F	-0.349

	x	y	z	Total
	-0.004	-0.005	0.000	0.006
CHELPG
AIM
ESP

	x	y	z
x	1.102	-0.075	0.000
y	-0.075	1.452	0.000
z	0.000	0.000	0.596

<r²>	36.059
(<r²>)^1/2	6.005

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)