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	hartrees
Energy at 0K	-76.381555
Energy at 298.15K	-76.382652
HF Energy	-76.057404
Nuclear repulsion energy	9.207731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3879	3879	4.72
2	A₁	1678	1678	66.80
3	B₂	3980	3980	44.61

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.753	-0.471
H3	-0.753	-0.471

	O1	H2	H3
O1		0.9560	0.9560
H2	0.9560		1.5067
H3	0.9560	1.5067

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD=FULL/cc-pCVTZ

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=FULL/cc-pCVTZ

States and conformations

All results from a given calculation for H₂O (Water)