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	hartrees
Energy at 0K	-76.237549
Energy at 298.15K	-76.238645
HF Energy	-76.030649
Nuclear repulsion energy	9.172904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3936	3663	8.20
2	A₁	1654	1539	92.11
3	B₂	4057	3775	55.16

Atom	y (Å)	z (Å)
O1	0.000	0.116
H2	0.764	-0.464
H3	-0.764	-0.464

	O1	H2	H3
O1		0.9592	0.9592
H2	0.9592		1.5283
H3	0.9592	1.5283

All results from a given calculation for H₂O (Water)

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

All results from a given calculation for H₂O (Water)