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	hartrees
Energy at 0K	-76.079492
Energy at 298.15K	-76.080586
HF Energy	-76.079492
Nuclear repulsion energy	9.084682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3744	3698	5.60
2	A₁	1554	1535	59.36
3	B₂	3852	3804	37.23

Atom	y (Å)	z (Å)
O1	0.000	0.120
H2	0.763	-0.478
H3	-0.763	-0.478

	O1	H2	H3
O1		0.9690	0.9690
H2	0.9690		1.5251
H3	0.9690	1.5251

Number	Element	Mulliken
1	O	-0.496
2	H	0.248
3	H	0.248

All results from a given calculation for H₂O (Water)

using model chemistry: LSDA/6-311G**

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>	5.423
(<r²>)^1/2	2.329

All results from a given calculation for H2O (Water)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for H₂O (Water)