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	hartrees
Energy at 0K	-33.893372
Energy at 298.15K
HF Energy	-33.663929
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	25.474344

Atom	x (Å)	y (Å)	z (Å)
H1	-0.017	0.512	0.000
O2	-0.027	1.503	0.000
O3	-0.027	-1.333	0.000
H4	0.890	1.852	0.000
H5	-0.220	-1.861	0.806
H6	-0.220	-1.861	-0.806

	H1	O2	O3	H4	H5	H6
H1		0.9911	1.8450	1.6188	2.5139	2.5139
O2	0.9911		2.8360	0.9816	3.4642	3.4642
O3	1.8450	2.8360		3.3148	0.9824	0.9824
H4	1.6188	0.9816	3.3148		3.9581	3.9581
H5	2.5139	3.4642	0.9824	3.9581		1.6122
H6	2.5139	3.4642	0.9824	3.9581	1.6122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	110.278	H1	O3	H5	122.550
H1	O3	H6	122.550	O2	H1	O3	179.132
H5	O3	H6	110.276

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

using model chemistry: MP2/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 H2OH2O (water dimer)

using model chemistry: MP2/CEP-31G

States and conformations

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