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	hartrees
Energy at 0K	-528.729997
Energy at 298.15K	-528.729752
HF Energy	-528.729997
Nuclear repulsion energy	5.134181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4420	4255	0.04
2	Σ	27	26	0.02
3	Π	64	61	0.01
3	Π	64	61	0.01

Atom	x (Å)	y (Å)	z (Å)
Ar1	0.000	0.000	0.358
H2	0.000	0.000	-2.854
H3	0.000	0.000	-3.597

	Ar1	H2	H3
Ar1		3.2126	3.9554
H2	3.2126		0.7428
H3	3.9554	0.7428

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/Def2TZVPP

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	Ar	0.001
2	H	-0.001
3	H	-0.001

	x	y	z	Total
	0.000	0.000	0.024	0.024
CHELPG
AIM
ESP

<r²>	42.651
(<r²>)^1/2	6.531

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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