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	hartrees
Energy at 0K	-17.044640
Energy at 298.15K	-17.045737
HF Energy	-16.849956
Nuclear repulsion energy	6.843974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3747	3747
2	A₁	1712	1712
3	B₂	3877	3877

Atom	y (Å)	z (Å)
O1	0.000	0.120
H2	0.771	-0.480
H3	-0.771	-0.480

	O1	H2	H3
O1		0.9769	0.9769
H2	0.9769		1.5416
H3	0.9769	1.5416

All results from a given calculation for H₂O (Water)

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

States and conformations

All results from a given calculation for H₂O (Water)