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	hartrees
Energy at 0K	-152.735304
Energy at 298.15K	-152.738027
HF Energy	-152.137289
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.615706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3912	3761
2	A'	3826	3678
3	A'	3749	3604
4	A'	1670	1605
5	A'	1650	1587
6	A'	353	339
7	A'	185	177
8	A'	150	144
9	A"	3932	3780
10	A"	618	594
11	A"	141	135
12	A"	127	122

Atom	x (Å)	y (Å)	z (Å)
H1	0.097	0.557	0.000
O2	-0.000	1.518	0.000
O3	-0.000	-1.392	0.000
H4	0.897	1.853	0.000
H5	-0.494	-1.708	0.760
H6	-0.494	-1.708	-0.760

	H1	O2	O3	H4	H5	H6
H1		0.9653	1.9519	1.5231	2.4610	2.4610
O2	0.9653		2.9099	0.9582	3.3503	3.3503
O3	1.9519	2.9099		3.3670	0.9597	0.9597
H4	1.5231	0.9582	3.3670		3.8977	3.8977
H5	2.4610	3.3503	0.9597	3.8977		1.5203
H6	2.4610	3.3503	0.9597	3.8977	1.5203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.715	H1	O3	H5	110.726
H1	O3	H6	110.726	O2	H1	O3	171.378
H5	O3	H6	104.761

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

using model chemistry: CCSD(T)/aug-cc-pVQZ

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)/aug-cc-pVQZ

States and conformations

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