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	hartrees
Energy at 0K	-76.276380
Energy at 298.15K	-76.277476
HF Energy	-76.040758
Nuclear repulsion energy	9.111438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3787	3674
2	A₁	1637	1588
3	B₂	3906	3789

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.761	-0.476
H3	-0.761	-0.476

	O1	H2	H3
O1		0.9661	0.9661
H2	0.9661		1.5227
H3	0.9661	1.5227

All results from a given calculation for H₂O (Water)

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)