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	hartrees
Energy at 0K	-76.143005
Energy at 298.15K	-76.144101
HF Energy	-76.009323
Nuclear repulsion energy	8.969913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3638	3470
2	A₁	1635	1560
3	B₂	3819	3643

Atom	y (Å)	z (Å)
O1	0.000	0.112
H2	0.804	-0.448
H3	-0.804	-0.448

	O1	H2	H3
O1		0.9799	0.9799
H2	0.9799		1.6080
H3	0.9799	1.6080

All results from a given calculation for H₂O (Water)

using model chemistry: QCISD(T)/LANL2DZ

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: QCISD(T)/LANL2DZ

States and conformations

All results from a given calculation for H₂O (Water)