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	hartrees
Energy at 0K	-76.452251
Energy at 298.15K	-76.453347
HF Energy	-76.452251
Nuclear repulsion energy	9.071044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3664	3664	1.01
2	A₁	1605	1605	64.52
3	B₂	3764	3764	35.87

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.766	-0.477
H3	-0.766	-0.477

	O1	H2	H3
O1		0.9704	0.9704
H2	0.9704		1.5314
H3	0.9704	1.5314

Number	Element	Mulliken
1	O	-0.488
2	H	0.244
3	H	0.244

All results from a given calculation for H₂O (Water)

using model chemistry: BLYP/cc-pVQZ

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>	5.583
(<r²>)^1/2	2.363

All results from a given calculation for H2O (Water)

using model chemistry: BLYP/cc-pVQZ

States and conformations

All results from a given calculation for H₂O (Water)