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	hartrees
Energy at 0K	-76.321131
Energy at 298.15K	-76.322228
HF Energy	-76.060803
Nuclear repulsion energy	9.222492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3927	3927	7.62
2	A₁	1674	1674	78.55
3	B₂	4030	4030	70.21

Atom	y (Å)	z (Å)
O1	0.000	0.116
H2	0.756	-0.466
H3	-0.756	-0.466

	O1	H2	H3
O1		0.9543	0.9543
H2	0.9543		1.5122
H3	0.9543	1.5122

All results from a given calculation for H₂O (Water)

using model chemistry: CID/aug-cc-pVTZ

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: CID/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂O (Water)