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	hartrees
Energy at 0K	-76.347260
Energy at 298.15K	-76.348355
HF Energy	-76.347260
Nuclear repulsion energy	8.965145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3525	3525	9.13	93.56	0.21	0.34
2	A₁	1608	1608	56.71	15.16	0.42	0.60
3	B₂	3697	3697	4.28	40.95	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.116
H2	0.790	-0.466
H3	-0.790	-0.466

	O1	H2	H3
O1		0.9811	0.9811
H2	0.9811		1.5793
H3	0.9811	1.5793

Number	Element	Mulliken
1	O	-0.708
2	H	0.354
3	H	0.354

All results from a given calculation for H₂O (Water)

using model chemistry: B97D3/6-31G

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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<r²>	5.441
(<r²>)^1/2	2.333

All results from a given calculation for H2O (Water)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for H₂O (Water)