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	hartrees
Energy at 0K	-152.665490
Energy at 298.15K	-152.658592
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3915	3731	115.25
2	A'	3814	3635	11.12
3	A'	3720	3545	294.67
4	A'	1650	1572	36.34
5	A'	1629	1552	87.24
6	A'	358	341	52.62
7	A'	183	174	140.69
8	A'	153	146	138.62
9	A"	3936	3751	97.48
10	A"	629	599	92.14
11	A"	147	140	68.04
12	A"	127	121	99.92

Atom	x (Å)	y (Å)	z (Å)
H1	0.093	0.555	0.000
O2	-0.001	1.519	0.000
O3	-0.001	-1.389	0.000
H4	0.901	1.849	0.000
H5	-0.488	-1.720	0.761
H6	-0.488	-1.720	-0.761

	H1	O2	O3	H4	H5	H6
H1		0.9685	1.9465	1.5250	2.4687	2.4687
O2	0.9685		2.9082	0.9604	3.3629	3.3629
O3	1.9465	2.9082		3.3612	0.9622	0.9622
H4	1.5250	0.9604	3.3612		3.9046	3.9046
H5	2.4687	3.3629	0.9622	3.9046		1.5223
H6	2.4687	3.3629	0.9622	3.9046	1.5223

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

using model chemistry: MP2_cp/aug-cc-pVTZ

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: MP2_cp/aug-cc-pVTZ

States and conformations

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