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	hartrees
Energy at 0K	-76.346645
Energy at 298.15K	-76.347742
HF Energy	-76.057007
Nuclear repulsion energy	9.184602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3849	3706
2	A₁	1663	1601
3	B₂	3959	3812

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.753	-0.474
H3	-0.753	-0.474

	O1	H2	H3
O1		0.9585	0.9585
H2	0.9585		1.5063
H3	0.9585	1.5063

All results from a given calculation for H₂O (Water)

using model chemistry: MP4=FULL/cc-pVTZ

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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for H₂O (Water)