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	hartrees
Energy at 0K	-76.391089
Energy at 298.15K	-76.392186
HF Energy	-76.064882
Nuclear repulsion energy	9.205276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3854	3721
2	A₁	1663	1605
3	B₂	3960	3824

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.755	-0.470
H3	-0.755	-0.470

	O1	H2	H3
O1		0.9562	0.9562
H2	0.9562		1.5094
H3	0.9562	1.5094

All results from a given calculation for H₂O (Water)

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

States and conformations

All results from a given calculation for H₂O (Water)