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	hartrees
Energy at 0K	-528.663875
Energy at 298.15K	-528.663573
HF Energy	-528.663875
Nuclear repulsion energy	4.680957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4370	4215	0.03
2	Σ	31	30	0.00
3	Π	47	45	0.01
3	Π	47	45	0.01

Atom	x (Å)	y (Å)	z (Å)
Ar1	0.000	0.000	0.481
H2	0.000	0.000	-3.950
H3	0.000	0.000	-4.710

	Ar1	H2	H3
Ar1		4.4310	5.1910
H2	4.4310		0.7600
H3	5.1910	0.7600

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: B3PW91/aug-cc-pVDZ

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	0.002
2	H	0.017
3	H	-0.018

	x	y	z	Total
	0.000	0.000	0.007	0.007
CHELPG
AIM
ESP

<r²>	50.415
(<r²>)^1/2	7.100

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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