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	hartrees
Energy at 0K	-17.113517
Energy at 298.15K	-17.114614
HF Energy	-17.051046
Nuclear repulsion energy	6.906768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3785	3785	1.27
2	A₁	1706	1706	92.28
3	B₂	3914	3914	25.54

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.768	-0.471
H3	-0.768	-0.471

	O1	H2	H3
O1		0.9677	0.9677
H2	0.9677		1.5360
H3	0.9677	1.5360

Number	Element	Mulliken
1	O	-0.860
2	H	0.430
3	H	0.430

All results from a given calculation for H₂O (Water)

using model chemistry: B2PLYP/CEP-121G*

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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<r²>	5.439
(<r²>)^1/2	2.332

All results from a given calculation for H2O (Water)

using model chemistry: B2PLYP/CEP-121G*

States and conformations

All results from a given calculation for H₂O (Water)