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	hartrees
Energy at 0K	-76.408503
Energy at 298.15K	-76.409600
HF Energy	-76.324037
Nuclear repulsion energy	9.173360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3823	3823	3.86
2	A₁	1651	1651	67.89
3	B₂	3928	3928	44.77

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.757	-0.472
H3	-0.757	-0.472

	O1	H2	H3
O1		0.9595	0.9595
H2	0.9595		1.5143
H3	0.9595	1.5143

Number	Element	Mulliken
1	O	-0.451
2	H	0.226
3	H	0.226

All results from a given calculation for H₂O (Water)

using model chemistry: B2PLYP/cc-pCVTZ

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>	5.420
(<r²>)^1/2	2.328

All results from a given calculation for H2O (Water)

using model chemistry: B2PLYP/cc-pCVTZ

States and conformations

All results from a given calculation for H₂O (Water)