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	hartrees
Energy at 0K	-76.359797
Energy at 298.15K	-76.360894
HF Energy	-76.064756
Nuclear repulsion energy	9.189491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3845	3728
2	A₁	1659	1609
3	B₂	3952	3832

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.755	-0.471
H3	-0.755	-0.471

	O1	H2	H3
O1		0.9579	0.9579
H2	0.9579		1.5108
H3	0.9579	1.5108

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD(T)/cc-pVQZ

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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All results from a given calculation for H2O (Water)

using model chemistry: CCSD(T)/cc-pVQZ

States and conformations

All results from a given calculation for H₂O (Water)