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	hartrees
Energy at 0K	-17.172015
Energy at 298.15K	-17.173112
HF Energy	-17.172015
Nuclear repulsion energy	6.933290

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	3838	3838	0.74	83.93	0.19	0.32
2	A₁	1696	1696	93.23	6.48	0.56	0.72
3	B₂	3969	3969	22.56	42.43	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.767	-0.467
H3	-0.767	-0.467

	O1	H2	H3
O1		0.9639	0.9639
H2	0.9639		1.5338
H3	0.9639	1.5338

Number	Element	Mulliken
1	O	-0.848
2	H	0.424
3	H	0.424

All results from a given calculation for H₂O (Water)

using model chemistry: wB97X-D/CEP-121G*

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>	5.412
(<r²>)^1/2	2.326

All results from a given calculation for H2O (Water)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for H₂O (Water)