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	hartrees
Energy at 0K	-76.423359
Energy at 298.15K	-76.424454
HF Energy	-76.423359
Nuclear repulsion energy	9.165276

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	3873	3664	13.67	74.27	0.16	0.27
2	A₁	1594	1508	73.34	7.18	0.55	0.71
3	B₂	3983	3769	64.80	34.18	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.763	-0.466
H3	-0.763	-0.466

	O1	H2	H3
O1		0.9601	0.9601
H2	0.9601		1.5259
H3	0.9601	1.5259

Number	Element	Mulliken
1	O	-0.569
2	H	0.285
3	H	0.285

All results from a given calculation for H₂O (Water)

using model chemistry: M06-2X/TZVP

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>	5.493
(<r²>)^1/2	2.344

All results from a given calculation for H2O (Water)

using model chemistry: M06-2X/TZVP

States and conformations

All results from a given calculation for H₂O (Water)