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	hartrees
Energy at 0K	-76.149334
Energy at 298.15K	-76.150430
HF Energy	-76.009523
Nuclear repulsion energy	8.979281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3673	3462	0.43
2	A₁	1624	1531	100.35
3	B₂	3871	3649	26.97

Atom	y (Å)	z (Å)
O1	0.000	0.112
H2	0.804	-0.446
H3	-0.804	-0.446

	O1	H2	H3
O1		0.9788	0.9788
H2	0.9788		1.6089
H3	0.9788	1.6089

All results from a given calculation for H₂O (Water)

using model chemistry: MP2=FULL/SDD

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/SDD

States and conformations

All results from a given calculation for H₂O (Water)