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	hartrees
Energy at 0K	-152.426972
Energy at 298.15K	-152.429759
HF Energy	-152.028052
Nuclear repulsion energy	36.323297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3832	3676
2	A'	3720	3569
3	A'	3694	3544
4	A'	1773	1700
5	A'	1738	1668
6	A'	420	403
7	A'	206	197
8	A'	142	136
9	A"	3841	3685
10	A"	653	627
11	A"	161	154
12	A"	94	90

Atom	x (Å)	y (Å)	z (Å)
H1	0.148	0.550	0.000
O2	0.006	1.515	0.000
O3	0.006	-1.428	0.000
H4	0.903	1.885	0.000
H5	-0.575	-1.565	0.767
H6	-0.575	-1.565	-0.767

	H1	O2	O3	H4	H5	H6
H1		0.9756	1.9828	1.5339	2.3634	2.3634
O2	0.9756		2.9429	0.9701	3.2272	3.2272
O3	1.9828	2.9429		3.4324	0.9725	0.9725
H4	1.5339	0.9701	3.4324		3.8314	3.8314
H5	2.3634	3.2272	0.9725	3.8314		1.5344
H6	2.3634	3.2272	0.9725	3.8314	1.5344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.064	H1	O3	H5	100.582
H1	O3	H6	100.582	O2	H1	O3	167.514
H5	O3	H6	104.163

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

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

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