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	hartrees
Energy at 0K	-76.279275
Energy at 298.15K	-76.280372
HF Energy	-76.056218
Nuclear repulsion energy	9.197010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3916	3663	6.87
2	A₁	1652	1545	61.37
3	B₂	4016	3756	39.60

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.753	-0.472
H3	-0.753	-0.472

	O1	H2	H3
O1		0.9572	0.9572
H2	0.9572		1.5068
H3	0.9572	1.5068

All results from a given calculation for H₂O (Water)

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

All results from a given calculation for H₂O (Water)