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	hartrees
Energy at 0K	-76.030309
Energy at 298.15K	-76.032874
HF Energy	-76.030309
Nuclear repulsion energy	9.129821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3963	3803
2	A'	3857	3701
3	A'	3815	3661
4	A'	1666	1598
5	A'	1648	1582
6	A'	325	312
7	A'	167	160
8	A'	128	123
9	A"	3984	3823
10	A"	581	558
11	A"	146	140
12	A"	102	98

Atom	x (Å)	y (Å)	z (Å)
H1	0.068	0.616	0.000
O2	-0.005	1.581	0.000
O3	-0.005	-1.442	0.000
H4	0.901	1.907	0.000
H5	-0.448	-1.820	0.768
H6	-0.448	-1.820	-0.768

	H1	O2	O3	H4	H5	H6
H1		0.9678	2.0590	1.5361	2.6054	2.6054
O2	0.9678		3.0227	0.9625	3.5143	3.5143
O3	2.0590	3.0227		3.4688	0.9638	0.9638
H4	1.5361	0.9625	3.4688		4.0366	4.0366
H5	2.6054	3.5143	0.9638	4.0366		1.5360
H6	2.6054	3.5143	0.9638	4.0366	1.5360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.452	H1	O3	H5	114.091
H1	O3	H6	114.091	O2	H1	O3	173.640
H5	O3	H6	105.662

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

using model chemistry: CCSD(T)_cp_opt/6-31+G**

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_opt/6-31+G**

States and conformations

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