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	hartrees
Energy at 0K	-152.545251
Energy at 298.15K
HF Energy	-152.087922
Nuclear repulsion energy	36.292045

Atom	x (Å)	y (Å)	z (Å)
H1	0.091	0.573	0.000
O2	-0.001	1.538	0.000
O3	-0.001	-1.407	0.000
H4	0.905	1.866	0.000
H5	-0.489	-1.741	0.763
H6	-0.489	-1.741	-0.763

	H1	O2	O3	H4	H5	H6
H1		0.9695	1.9820	1.5280	2.5038	2.5038
O2	0.9695		2.9450	0.9634	3.4011	3.4011
O3	1.9820	2.9450		3.3962	0.9649	0.9649
H4	1.5280	0.9634	3.3962		3.9409	3.9409
H5	2.5038	3.4011	0.9649	3.9409		1.5255
H6	2.5038	3.4011	0.9649	3.9409	1.5255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.462	H1	O3	H5	111.630
H1	O3	H6	111.630	O2	H1	O3	171.884
H5	O3	H6	104.474

All results from a given calculation for H₂OH₂O (water dimer)

using model chemistry: CCSD/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 H2OH2O (water dimer)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂OH₂O (water dimer)