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	hartrees
Energy at 0K	-76.356429
Energy at 298.15K	-76.357525
HF Energy	-76.062387
Nuclear repulsion energy	9.185568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3837	3837
2	A₁	1666	1666
3	B₂	3943	3943

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.755	-0.473
H3	-0.755	-0.473

	O1	H2	H3
O1		0.9583	0.9583
H2	0.9583		1.5091
H3	0.9583	1.5091

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for H₂O (Water)