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	hartrees
Energy at 0K	-152.666240
Energy at 298.15K	-152.668990
HF Energy	-152.126132
Counterpoise corrected energy	-76.060246
CP Energy at 298.15K	-76.062936
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.570097

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

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.483	H1	O3	H5	111.609
H1	O3	H6	111.609	O2	H1	O3	171.625
H5	O3	H6	104.563

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

using model chemistry: MP2/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/aug-cc-pVTZ

States and conformations

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