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	hartrees
Energy at 0K	-152.494006
Energy at 298.15K	-152.496786
HF Energy	-152.061128
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.541140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3902	3820
2	A'	3814	3733
3	A'	3781	3701
4	A'	1724	1687
5	A'	1685	1649
6	A'	396	387
7	A'	192	188
8	A'	153	150
9	A"	3915	3832
10	A"	651	637
11	A"	177	173
12	A"	82	80

Atom	x (Å)	y (Å)	z (Å)
H1	0.087	0.548	0.000
O2	0.007	1.515	0.000
O3	0.007	-1.409	0.000
H4	0.933	1.790	0.000
H5	-0.570	-1.595	0.754
H6	-0.570	-1.595	-0.754

	H1	O2	O3	H4	H5	H6
H1		0.9707	1.9582	1.5032	2.3647	2.3647
O2	0.9707		2.9241	0.9657	3.2521	3.2521
O3	1.9582	2.9241		3.3301	0.9680	0.9680
H4	1.5032	0.9657	3.3301		3.7798	3.7798
H5	2.3647	3.2521	0.9680	3.7798		1.5086
H6	2.3647	3.2521	0.9680	3.7798	1.5086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	101.849	H1	O3	H5	102.494
H1	O3	H6	102.494	O2	H1	O3	173.002
H5	O3	H6	102.384

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

using model chemistry: CCSD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

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