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	hartrees
Energy at 0K	-76.237446
Energy at 298.15K	-76.238544
HF Energy	-76.026319
Nuclear repulsion energy	9.135499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3866	3698	5.16
2	A₁	1700	1626	57.27
3	B₂	3969	3797	24.69

Atom	y (Å)	z (Å)
O1	0.000	0.121
H2	0.751	-0.484
H3	-0.751	-0.484

	O1	H2	H3
O1		0.9640	0.9640
H2	0.9640		1.5014
H3	0.9640	1.5014

All results from a given calculation for H₂O (Water)

using model chemistry: CCD/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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All results from a given calculation for H2O (Water)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)