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	hartrees
Energy at 0K	-152.495043
Energy at 298.15K	-152.497812
HF Energy	-152.061058
Nuclear repulsion energy	36.523530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3897	3897
2	A'	3808	3808
3	A'	3776	3776
4	A'	1723	1723
5	A'	1685	1685
6	A'	396	396
7	A'	191	191
8	A'	153	153
9	A"	3910	3910
10	A"	649	649
11	A"	174	174
12	A"	78	78

Atom	x (Å)	y (Å)	z (Å)
H1	0.091	0.548	0.000
O2	0.008	1.516	0.000
O3	0.008	-1.411	0.000
H4	0.932	1.795	0.000
H5	-0.572	-1.591	0.754
H6	-0.572	-1.591	-0.754

	H1	O2	O3	H4	H5	H6
H1		0.9710	1.9608	1.5036	2.3635	2.3635
O2	0.9710		2.9264	0.9660	3.2491	3.2491
O3	1.9608	2.9264		3.3362	0.9683	0.9683
H4	1.5036	0.9660	3.3362		3.7811	3.7811
H5	2.3635	3.2491	0.9683	3.7811		1.5085
H6	2.3635	3.2491	0.9683	3.7811	1.5085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	101.842	H1	O3	H5	102.219
H1	O3	H6	102.219	O2	H1	O3	172.607
H5	O3	H6	102.322

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

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/cc-pVDZ

States and conformations

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