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	hartrees
Energy at 0K	-152.681236
Energy at 298.15K	-152.684022
HF Energy	-152.122574
Counterpoise corrected energy	-76.058239
CP Energy at 298.15K	-76.060876
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.581080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3939	3939
2	A'	3853	3853
3	A'	3789	3789
4	A'	1678	1678
5	A'	1648	1648
6	A'	365	365
7	A'	182	182
8	A'	155	155
9	A"	3951	3951
10	A"	639	639
11	A"	157	157
12	A"	134	134

Atom	x (Å)	y (Å)	z (Å)
H1	0.082	0.561	0.000
O2	0.000	1.523	0.000
O3	0.000	-1.394	0.000
H4	0.904	1.840	0.000
H5	-0.493	-1.713	0.759
H6	-0.493	-1.713	-0.759

	H1	O2	O3	H4	H5	H6
H1		0.9648	1.9573	1.5199	2.4656	2.4656
O2	0.9648		2.9169	0.9580	3.3598	3.3598
O3	1.9573	2.9169		3.3579	0.9598	0.9598
H4	1.5199	0.9580	3.3579		3.8922	3.8922
H5	2.4656	3.3598	0.9598	3.8922		1.5182
H6	2.4656	3.3598	0.9598	3.8922	1.5182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.453	H1	O3	H5	110.680
H1	O3	H6	110.680	O2	H1	O3	172.727
H5	O3	H6	104.538

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

using model chemistry: CCSD(T)/6-311+G(3df,2pd)

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)/6-311+G(3df,2pd)

States and conformations

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