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	hartrees
Energy at 0K	-16.948626
Energy at 298.15K	-16.949722
HF Energy	-16.825632
Nuclear repulsion energy	6.772898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3645	3438
2	A₁	1622	1530
3	B₂	3812	3595

Atom	y (Å)	z (Å)
O1	0.000	0.114
H2	0.803	-0.457
H3	-0.803	-0.457

	O1	H2	H3
O1		0.9855	0.9855
H2	0.9855		1.6067
H3	0.9855	1.6067

All results from a given calculation for H₂O (Water)

using model chemistry: CCSD(T)/CEP-31G

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(T)/CEP-31G

States and conformations

All results from a given calculation for H₂O (Water)