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	hartrees
Energy at 0K	-528.744205
Energy at 298.15K	-528.743771
HF Energy	-528.744205
Nuclear repulsion energy	4.177692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4415	4278	0.01
2	Σ	22	21	0.00
3	Π	18	18	0.00
3	Π	18	18	0.00

Atom	x (Å)	y (Å)	z (Å)
Ar1	0.000	0.000	0.552
H2	0.000	0.000	-4.600
H3	0.000	0.000	-5.342

	Ar1	H2	H3
Ar1		5.1527	5.8947
H2	5.1527		0.7419
H3	5.8947	0.7419

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Ar1	H2	H3	180.000		Ar1	H3	H2	0.000
H2	Ar1	H3	0.000

All results from a given calculation for H₂Ar (H2 Ar dimer)

using model chemistry: B3LYP/aug-cc-pVQZ

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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	x	y	z	Total
	0.000	0.000	0.004	0.004
CHELPG
AIM
ESP

<r²>	63.729
(<r²>)^1/2	7.983

All results from a given calculation for H2Ar (H2 Ar dimer)

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for H₂Ar (H2 Ar dimer)