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	hartrees
Energy at 0K	-76.097398
Energy at 298.15K	-76.098493
HF Energy	-76.097398
Nuclear repulsion energy	9.084665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3750	3750	9.12
2	A₁	1550	1550	76.84
3	B₂	3856	3856	77.88

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.769	-0.472
H3	-0.769	-0.472

	O1	H2	H3
O1		0.9687	0.9687
H2	0.9687		1.5372
H3	0.9687	1.5372

Number	Element	Mulliken
1	O	-0.355
2	H	0.177
3	H	0.177

All results from a given calculation for H₂O (Water)

using model chemistry: LSDA/6-311+G(3df,2pd)

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>	5.676
(<r²>)^1/2	2.382

All results from a given calculation for H2O (Water)

using model chemistry: LSDA/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for H₂O (Water)