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	hartrees
Energy at 0K	-76.238206
Energy at 298.15K	-76.239304
HF Energy	-76.026247
Nuclear repulsion energy	9.127543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3846	3644	4.45
2	A₁	1697	1607	56.15
3	B₂	3951	3742	22.62

Atom	y (Å)	z (Å)
O1	0.000	0.121
H2	0.751	-0.485
H3	-0.751	-0.485

	O1	H2	H3
O1		0.9649	0.9649
H2	0.9649		1.5016
H3	0.9649	1.5016

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)