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	hartrees
Energy at 0K	-76.405367
Energy at 298.15K	-76.406463
HF Energy	-76.405367
Nuclear repulsion energy	9.089471

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	3715	3715	1.15	101.97	0.05	0.10
2	A₁	1605	1605	62.74	1.76	0.68	0.81
3	B₂	3831	3831	44.77	27.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.763	-0.477
H3	-0.763	-0.477

	O1	H2	H3
O1		0.9684	0.9684
H2	0.9684		1.5263
H3	0.9684	1.5263

Number	Element	Mulliken
1	O	-0.200
2	H	0.100
3	H	0.100

All results from a given calculation for H₂O (Water)

using model chemistry: B97D3/aug-cc-pVDZ

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>	5.657
(<r²>)^1/2	2.378

All results from a given calculation for H2O (Water)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)