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	hartrees
Energy at 0K	-152.482756
Energy at 298.15K	-152.485644
HF Energy	-152.073623
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	37.059959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3966	3769	72.62
2	A'	3856	3664	4.42
3	A'	3790	3602	207.75
4	A'	1781	1693	91.60
5	A'	1743	1657	119.91
6	A'	422	401	105.39
7	A'	216	205	22.80
8	A'	160	152	388.94
9	A"	3988	3789	56.24
10	A"	736	699	221.69
11	A"	175	167	214.98
12	A"	85	81	24.80

Atom	x (Å)	y (Å)	z (Å)
H1	0.141	0.543	0.000
O2	0.004	1.496	0.000
O3	0.004	-1.406	0.000
H4	0.874	1.897	0.000
H5	-0.542	-1.581	0.772
H6	-0.542	-1.581	-0.772

	H1	O2	O3	H4	H5	H6
H1		0.9633	1.9531	1.5397	2.3604	2.3604
O2	0.9633		2.9017	0.9576	3.2190	3.2190
O3	1.9531	2.9017		3.4150	0.9616	0.9616
H4	1.5397	0.9576	3.4150		3.8334	3.8334
H5	2.3604	3.2190	0.9616	3.8334		1.5436
H6	2.3604	3.2190	0.9616	3.8334	1.5436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.565	H1	O3	H5	102.808
H1	O3	H6	102.808	O2	H1	O3	167.804
H5	O3	H6	106.772

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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