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	hartrees
Energy at 0K	-152.426852
Energy at 298.15K	-152.429644
HF Energy	-152.028047
Counterpoise corrected energy	-76.009560
CP Energy at 298.15K	-76.012295
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.335922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3833	3687
2	A'	3721	3580
3	A'	3695	3555
4	A'	1773	1706
5	A'	1739	1673
6	A'	422	406
7	A'	207	199
8	A'	144	138
9	A"	3842	3696
10	A"	654	629
11	A"	160	154
12	A"	93	89

Atom	x (Å)	y (Å)	z (Å)
H1	0.148	0.549	0.000
O2	0.006	1.514	0.000
O3	0.006	-1.427	0.000
H4	0.903	1.884	0.000
H5	-0.576	-1.562	0.767
H6	-0.576	-1.562	-0.767

	H1	O2	O3	H4	H5	H6
H1		0.9756	1.9813	1.5339	2.3598	2.3598
O2	0.9756		2.9414	0.9700	3.2233	3.2233
O3	1.9813	2.9414		3.4308	0.9725	0.9725
H4	1.5339	0.9700	3.4308		3.8279	3.8279
H5	2.3598	3.2233	0.9725	3.8279		1.5340
H6	2.3598	3.2233	0.9725	3.8279	1.5340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.068	H1	O3	H5	100.426
H1	O3	H6	100.426	O2	H1	O3	167.523
H5	O3	H6	104.127

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

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

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)/6-31G*

States and conformations

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