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	hartrees
Energy at 0K	-151.440842
Energy at 298.15K	-151.434494
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3547	3514
2	A'	3444	3411
3	A'	3402	3370
4	A'	1785	1768
5	A'	1719	1703
6	A'	521	516
7	A'	276	273
8	A'	218	216
9	A"	3581	3547
10	A"	824	816
11	A"	227	224
12	A"	134	132

Atom	x (Å)	y (Å)	z (Å)
H1	0.095	0.469	0.000
O2	0.006	1.462	0.000
O3	0.006	-1.360	0.000
H4	0.937	1.807	0.000
H5	-0.565	-1.546	0.792
H6	-0.565	-1.546	-0.792

	H1	O2	O3	H4	H5	H6
H1		0.9970	1.8311	1.5810	2.2635	2.2635
O2	0.9970		2.8221	0.9928	3.1627	3.1627
O3	1.8311	2.8221		3.3010	0.9943	0.9943
H4	1.5810	0.9928	3.3010		3.7586	3.7586
H5	2.2635	3.1627	0.9943	3.7586		1.5845
H6	2.2635	3.1627	0.9943	3.7586	1.5845

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

using model chemistry: CCSD(T)_cp/3-21G

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)_cp/3-21G

States and conformations

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