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	hartrees
Energy at 0K	-76.438080
Energy at 298.15K	-76.439176
HF Energy	-76.438080
Nuclear repulsion energy	9.095490

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	3753	3630	1.82	101.54	0.06	0.11
2	A₁	1632	1579	65.76	1.73	0.67	0.81
3	B₂	3865	3738	45.93	27.82	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.764	-0.476
H3	-0.764	-0.476

	O1	H2	H3
O1		0.9677	0.9677
H2	0.9677		1.5274
H3	0.9677	1.5274

Number	Element	Mulliken
1	O	-0.239
2	H	0.119
3	H	0.119

All results from a given calculation for H₂O (Water)

using model chemistry: TPSSh/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>	5.633
(<r²>)^1/2	2.373

All results from a given calculation for H2O (Water)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)