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	hartrees
Energy at 0K	-76.405443
Energy at 298.15K	-76.406540
HF Energy	-76.405443
Nuclear repulsion energy	9.054004

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	3653	3633	0.30	70.01	0.16	0.28
2	A₁	1644	1635	61.32	4.64	0.60	0.75
3	B₂	3757	3736	14.72	31.48	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.121
H2	0.760	-0.485
H3	-0.760	-0.485

	O1	H2	H3
O1		0.9725	0.9725
H2	0.9725		1.5202
H3	0.9725	1.5202

Number	Element	Mulliken
1	O	-0.549
2	H	0.274
3	H	0.274

All results from a given calculation for H₂O (Water)

using model chemistry: BLYP/6-31G(2df,p)

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>	5.386
(<r²>)^1/2	2.321

All results from a given calculation for H2O (Water)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂O (Water)