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	hartrees
Energy at 0K	-76.283587
Energy at 298.15K	-76.284684
HF Energy	-76.028772
Nuclear repulsion energy	9.206494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3897	3669	5.76
2	A₁	1718	1618	78.69
3	B₂	4008	3774	37.16

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.752	-0.473
H3	-0.752	-0.473

	O1	H2	H3
O1		0.9562	0.9562
H2	0.9562		1.5033
H3	0.9562	1.5033

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂O (Water)