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	hartrees
Energy at 0K	-76.328243
Energy at 298.15K	-76.329340
HF Energy	-76.062613
Nuclear repulsion energy	9.211297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3895	3895	6.54
2	A₁	1676	1676	67.68
3	B₂	4001	4001	53.20

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.754	-0.469
H3	-0.754	-0.469

	O1	H2	H3
O1		0.9556	0.9556
H2	0.9556		1.5089
H3	0.9556	1.5089

All results from a given calculation for H₂O (Water)

using model chemistry: CCD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for H₂O (Water)