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	hartrees
Energy at 0K	-76.277570
Energy at 298.15K	-76.278667
HF Energy	-76.041263
Nuclear repulsion energy	9.115305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3784	3784
2	A₁	1644	1644
3	B₂	3904	3904

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.761	-0.476
H3	-0.761	-0.476

	O1	H2	H3
O1		0.9657	0.9657
H2	0.9657		1.5217
H3	0.9657	1.5217

All results from a given calculation for H₂O (Water)

using model chemistry: QCISD(T)=FULL/daug-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: QCISD(T)=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)