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	hartrees
Energy at 0K	-76.399421
Energy at 298.15K	-76.400518
HF Energy	-76.399421
Nuclear repulsion energy	9.166479

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	3877	3689	4.34	74.75	0.17	0.28
2	A₁	1672	1591	76.84	7.15	0.54	0.70
3	B₂	3995	3801	30.53	35.59	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.757	-0.473
H3	-0.757	-0.473

	O1	H2	H3
O1		0.9603	0.9603
H2	0.9603		1.5137
H3	0.9603	1.5137

Number	Element	Mulliken
1	O	-0.635
2	H	0.317
3	H	0.317

All results from a given calculation for H₂O (Water)

using model chemistry: mPW1PW91/6-31G**

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>	5.307
(<r²>)^1/2	2.304

All results from a given calculation for H2O (Water)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for H₂O (Water)