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	hartrees
Energy at 0K	-76.414317
Energy at 298.15K	-76.415412
HF Energy	-76.414317
Nuclear repulsion energy	8.997371

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	3671	3529	2.69	93.29	0.21	0.34
2	A₁	1577	1515	88.32	15.36	0.42	0.59
3	B₂	3863	3713	16.91	41.41	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.112
H2	0.800	-0.448
H3	-0.800	-0.448

	O1	H2	H3
O1		0.9769	0.9769
H2	0.9769		1.6008
H3	0.9769	1.6008

Number	Element	Mulliken
1	O	-0.711
2	H	0.356
3	H	0.356

All results from a given calculation for H₂O (Water)

using model chemistry: B3LYP/LANL2DZ

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>	5.485
(<r²>)^1/2	2.342

All results from a given calculation for H2O (Water)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for H₂O (Water)