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	hartrees
Energy at 0K	-152.619813
Energy at 298.15K	-152.622588
HF Energy	-152.119279
Nuclear repulsion energy	36.500479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3915	3743
2	A'	3832	3664
3	A'	3774	3608
4	A'	1666	1593
5	A'	1637	1565
6	A'	368	352
7	A'	182	174
8	A'	166	159
9	A"	3938	3764
10	A"	629	601
11	A"	148	142
12	A"	124	118

Atom	x (Å)	y (Å)	z (Å)
H1	0.035	0.567	0.000
O2	-0.006	1.534	0.000
O3	-0.006	-1.381	0.000
H4	0.917	1.799	0.000
H5	-0.427	-1.796	0.759
H6	-0.427	-1.796	-0.759

	H1	O2	O3	H4	H5	H6
H1		0.9671	1.9485	1.5153	2.5250	2.5250
O2	0.9671		2.9143	0.9609	3.4409	3.4409
O3	1.9485	2.9143		3.3114	0.9625	0.9625
H4	1.5153	0.9609	3.3114		3.9129	3.9129
H5	2.5250	3.4409	0.9625	3.9129		1.5184
H6	2.5250	3.4409	0.9625	3.9129	1.5184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.616	H1	O3	H5	116.142
H1	O3	H6	116.142	O2	H1	O3	176.354
H5	O3	H6	104.154

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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