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	hartrees
Energy at 0K	-76.420627
Energy at 298.15K	-76.421724
HF Energy	-76.420627
Nuclear repulsion energy	9.091264

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	3753	3640	2.92	75.64	0.17	0.29
2	A₁	1660	1610	55.63	6.09	0.52	0.69
3	B₂	3853	3738	19.85	37.47	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.121
H2	0.756	-0.484
H3	-0.756	-0.484

	O1	H2	H3
O1		0.9686	0.9686
H2	0.9686		1.5124
H3	0.9686	1.5124

Number	Element	Mulliken
1	O	-0.262
2	H	0.131
3	H	0.131

All results from a given calculation for H₂O (Water)

using model chemistry: B3LYP/cc-pVDZ

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>	5.313
(<r²>)^1/2	2.305

All results from a given calculation for H2O (Water)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)