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	hartrees
Energy at 0K	-76.336385
Energy at 298.15K	-76.337482
HF Energy	-76.058272
Nuclear repulsion energy	9.179898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3863	3863
2	A₁	1650	1650
3	B₂	3963	3963

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.756	-0.471
H3	-0.756	-0.471

	O1	H2	H3
O1		0.9588	0.9588
H2	0.9588		1.5130
H3	0.9588	1.5130

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD(T)/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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All results from a given calculation for H2O (Water)

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

States and conformations

All results from a given calculation for H₂O (Water)