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	hartrees
Energy at 0K	-76.044109
Energy at 298.15K	-76.045201
HF Energy	-76.044109
Nuclear repulsion energy	8.935619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3610	3610	2.54
2	A₁	1491	1491	95.04
3	B₂	3818	3818	25.16

Atom	y (Å)	z (Å)
O1	0.000	0.112
H2	0.809	-0.447
H3	-0.809	-0.447

	O1	H2	H3
O1		0.9835	0.9835
H2	0.9835		1.6186
H3	0.9835	1.6186

Number	Element	Mulliken
1	O	-0.736
2	H	0.368
3	H	0.368

All results from a given calculation for H₂O (Water)

using model chemistry: LSDA/LANL2DZ

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>	5.530
(<r²>)^1/2	2.352

All results from a given calculation for H2O (Water)

using model chemistry: LSDA/LANL2DZ

States and conformations

All results from a given calculation for H₂O (Water)