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	hartrees
Energy at 0K	-76.244775
Energy at 298.15K	-76.245871
HF Energy	-76.030301
Nuclear repulsion energy	9.131911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3851	3851
2	A₁	1640	1640
3	B₂	3982	3982

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.766	-0.468
H3	-0.766	-0.468

	O1	H2	H3
O1		0.9636	0.9636
H2	0.9636		1.5319
H3	0.9636	1.5319

All results from a given calculation for H₂O (Water)

using model chemistry: QCISD(TQ)/6-31+G**

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(TQ)/6-31+G**

States and conformations

All results from a given calculation for H₂O (Water)