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	hartrees
Energy at 0K	-76.325660
Energy at 298.15K	-76.326757
HF Energy	-76.325660
Nuclear repulsion energy	9.126530

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	3801	3612	4.32	75.21	0.18	0.30
2	A₁	1722	1637	82.05	7.34	0.54	0.70
3	B₂	3927	3732	29.64	37.45	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.759	-0.476
H3	-0.759	-0.476

	O1	H2	H3
O1		0.9645	0.9645
H2	0.9645		1.5185
H3	0.9645	1.5185

Number	Element	Mulliken
1	O	-0.803
2	H	0.402
3	H	0.402

All results from a given calculation for H₂O (Water)

using model chemistry: PBE1PBE/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>	5.346
(<r²>)^1/2	2.312

All results from a given calculation for H2O (Water)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for H₂O (Water)