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	hartrees
Energy at 0K	-76.241410
Energy at 298.15K	-76.242506
HF Energy	-76.030421
Nuclear repulsion energy	9.144065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3875	3663	6.32
2	A₁	1646	1556	89.03
3	B₂	4004	3785	48.91

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.766	-0.466
H3	-0.766	-0.466

	O1	H2	H3
O1		0.9623	0.9623
H2	0.9623		1.5317
H3	0.9623	1.5317

All results from a given calculation for H₂O (Water)

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

All results from a given calculation for H₂O (Water)