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	hartrees
Energy at 0K	-152.654732
Energy at 298.15K	-152.657530
HF Energy	-152.122551
Counterpoise corrected energy	-76.058253
CP Energy at 298.15K	-76.060906
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.620577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3974	3776	100.24
2	A	3961	3763	111.75
3	A	3862	3669	15.30
4	A	3775	3587	305.72
5	A	1661	1578	40.55
6	A	1631	1550	84.99
7	A	649	617	112.09
8	A	367	349	59.46
9	A	182	173	101.35
10	A	160	152	38.86
11	A	156	148	184.54
12	A	134	128	137.52

Atom	x (Å)	y (Å)	z (Å)
H1	-0.563	0.000	0.035
O2	-1.515	0.000	-0.121
O3	1.385	0.000	0.109
H4	-1.901	0.000	0.756
H5	1.755	-0.759	-0.347
H6	1.755	0.759	-0.347

	H1	O2	O3	H4	H5	H6
H1		0.9656	1.9485	1.5203	2.4683	2.4683
O2	0.9656		2.9092	0.9576	3.3650	3.3650
O3	1.9485	2.9092		3.3487	0.9596	0.9596
H4	1.5203	0.9576	3.3487		3.8934	3.8934
H5	2.4683	3.3650	0.9596	3.8934		1.5177
H6	2.4683	3.3650	0.9596	3.8934	1.5177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.462	H1	O3	H5	111.573
H1	O3	H6	111.573	O2	H1	O3	172.893
H5	O3	H6	104.523

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

using model chemistry: MP2/6-311+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: MP2/6-311+G(3df,2pd)

States and conformations

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