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	hartrees
Energy at 0K	-152.464629
Energy at 298.15K
HF Energy	-152.074477
Nuclear repulsion energy	37.002413

Atom	x (Å)	y (Å)	z (Å)
H1	0.040	0.547	0.000
O2	-0.002	1.502	0.000
O3	-0.002	-1.370	0.000
H4	0.894	1.818	0.000
H5	-0.449	-1.711	0.768
H6	-0.449	-1.711	-0.768

	H1	O2	O3	H4	H5	H6
H1		0.9554	1.9176	1.5308	2.4354	2.4354
O2	0.9554		2.8716	0.9502	3.3339	3.3339
O3	1.9176	2.8716		3.3113	0.9516	0.9516
H4	1.5308	0.9502	3.3113		3.8535	3.8535
H5	2.4354	3.3339	0.9516	3.8535		1.5353
H6	2.4354	3.3339	0.9516	3.8535	1.5353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.893	H1	O3	H5	111.678
H1	O3	H6	111.678	O2	H1	O3	176.201
H5	O3	H6	107.548

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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