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	hartrees
Energy at 0K	-16.956350
Energy at 298.15K	-16.957446
HF Energy	-16.828326
Nuclear repulsion energy	6.821432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3628	3420	4.18
2	A₁	1615	1523	98.11
3	B₂	3820	3601	24.32

Atom	y (Å)	z (Å)
O1	0.000	0.112
H2	0.802	-0.448
H3	-0.802	-0.448

	O1	H2	H3
O1		0.9782	0.9782
H2	0.9782		1.6049
H3	0.9782	1.6049

All results from a given calculation for H₂O (Water)

using model chemistry: MP2=FULL/CEP-121G

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: MP2=FULL/CEP-121G

States and conformations

All results from a given calculation for H₂O (Water)