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	hartrees
Energy at 0K	-152.545637
Energy at 298.15K	-152.548338
HF Energy	-152.064879
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.836071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3978	3758	89.12
2	A'	3864	3649	16.49
3	A'	3798	3587	248.82
4	A'	1722	1627	59.49
5	A'	1688	1594	82.48
6	A'	424	401	37.54
7	A'	208	197	135.71
8	A'	143	136	202.44
9	A"	3982	3761	74.35
10	A"	645	609	95.94
11	A"	158	149	151.75
12	A"	41	38	38.36

Atom	x (Å)	y (Å)	z (Å)
H1	0.146	0.538	0.000
O2	0.007	1.493	0.000
O3	0.007	-1.411	0.000
H4	0.896	1.848	0.000
H5	-0.577	-1.521	0.754
H6	-0.577	-1.521	-0.754

	H1	O2	O3	H4	H5	H6
H1		0.9646	1.9538	1.5089	2.3091	2.3091
O2	0.9646		2.9034	0.9569	3.1610	3.1610
O3	1.9538	2.9034		3.3775	0.9602	0.9602
H4	1.5089	0.9569	3.3775		3.7531	3.7531
H5	2.3091	3.1610	0.9602	3.7531		1.5089
H6	2.3091	3.1610	0.9602	3.7531	1.5089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.491	H1	O3	H5	99.084
H1	O3	H6	99.084	O2	H1	O3	167.617
H5	O3	H6	103.572

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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