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	hartrees
Energy at 0K	-17.189892
Energy at 298.15K	-17.190985
HF Energy	-17.189892
Nuclear repulsion energy	6.747409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3528	3528	10.72
2	A₁	1497	1497	88.26
3	B₂	3717	3717	18.16

Atom	y (Å)	z (Å)
O1	0.000	0.114
H2	0.808	-0.457
H3	-0.808	-0.457

	O1	H2	H3
O1		0.9891	0.9891
H2	0.9891		1.6158
H3	0.9891	1.6158

Number	Element	Mulliken
1	O	-0.736
2	H	0.368
3	H	0.368

All results from a given calculation for H₂O (Water)

using model chemistry: LSDA/CEP-121G

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>	5.626
(<r²>)^1/2	2.372

All results from a given calculation for H2O (Water)

using model chemistry: LSDA/CEP-121G

States and conformations

All results from a given calculation for H₂O (Water)