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	hartrees
Energy at 0K	-76.328122
Energy at 298.15K	-76.329219
HF Energy	-76.057325
Nuclear repulsion energy	9.197913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3868	3868	4.23
2	A₁	1677	1677	65.44
3	B₂	3969	3969	42.48

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.753	-0.472
H3	-0.753	-0.472

	O1	H2	H3
O1		0.9571	0.9571
H2	0.9571		1.5069
H3	0.9571	1.5069

All results from a given calculation for H₂O (Water)

using model chemistry: QCISD/cc-pCVTZ

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/cc-pCVTZ

States and conformations

All results from a given calculation for H₂O (Water)