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	hartrees
Energy at 0K	-75.714619
Energy at 298.15K	-75.715717
HF Energy	-75.584859
Nuclear repulsion energy	8.880254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3467	3371	12.12
2	A₁	1732	1684	45.09
3	B₂	3608	3508	2.27

Atom	y (Å)	z (Å)
O1	0.000	0.121
H2	0.786	-0.482
H3	-0.786	-0.482

	O1	H2	H3
O1		0.9910	0.9910
H2	0.9910		1.5727
H3	0.9910	1.5727

All results from a given calculation for H₂O (Water)

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

All results from a given calculation for H₂O (Water)