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	hartrees
Energy at 0K	-197.154476
Energy at 298.15K	-197.155928
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	31.432631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4516	3688	46.40
2	A	4499	3673	82.03
3	A	719	587	94.14
4	A	581	474	106.64
5	A	366	299	98.87
6	A	274	224	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.401	-0.092	0.000
F2	-1.219	-0.096	0.000
H3	-1.570	0.790	0.000
F4	1.349	0.018	-0.000

	H1	F2	H3	F4
H1		1.6198	2.1596	0.9540
F2	1.6198		0.9528	2.5699
H3	2.1596	0.9528		3.0192
F4	0.9540	2.5699	3.0192

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H1	F2	H3	111.520		H1	F4	H3	21.445
F2	H1	F4	173.494		F2	H3	F4	53.541

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

using model chemistry: HF/STO-3G

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	0.208
2	F	-0.179
3	H	0.228
4	F	-0.257

	x	y	z	Total
	-2.392	1.134	0.000	2.647
CHELPG
AIM
ESP

	x	y	z
x	0.733	-0.175	0.000
y	-0.175	0.436	0.000
z	0.000	0.000	0.001

<r²>	38.795
(<r²>)^1/2	6.229

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

using model chemistry: HF/STO-3G

States and conformations

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