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	hartrees
Energy at 0K	-76.324556
Energy at 298.15K	-76.325654
HF Energy	-76.057134
Nuclear repulsion energy	9.197221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3876	3648	4.48
2	A₁	1678	1580	66.10
3	B₂	3979	3745	43.31

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.754	-0.472
H3	-0.754	-0.472

	O1	H2	H3
O1		0.9571	0.9571
H2	0.9571		1.5074
H3	0.9571	1.5074

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for H₂O (Water)