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	hartrees
Energy at 0K	-152.405355
Energy at 298.15K	-152.408177
HF Energy	-152.028265
Counterpoise corrected energy	-76.009734
CP Energy at 298.15K	-76.012541
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.544680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3662	88.95
2	A'	3762	3547	15.75
3	A'	3707	3496	216.76
4	A'	1767	1666	89.15
5	A'	1733	1634	87.56
6	A'	437	412	40.27
7	A'	214	202	171.24
8	A'	144	136	262.02
9	A"	3894	3672	67.57
10	A"	676	637	162.80
11	A"	159	150	186.08
12	A"	90	85	47.82

Atom	x (Å)	y (Å)	z (Å)
H1	0.060	0.552	0.000
O2	0.008	1.524	0.000
O3	0.008	-1.413	0.000
H4	0.931	1.812	0.000
H5	-0.557	-1.624	0.763
H6	-0.557	-1.624	-0.763

	H1	O2	O3	H4	H5	H6
H1		0.9730	1.9660	1.5320	2.3868	2.3868
O2	0.9730		2.9368	0.9677	3.2873	3.2873
O3	1.9660	2.9368		3.3553	0.9724	0.9724
H4	1.5320	0.9677	3.3553		3.8215	3.8215
H5	2.3868	3.2873	0.9724	3.8215		1.5258
H6	2.3868	3.2873	0.9724	3.8215	1.5258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.265	H1	O3	H5	103.406
H1	O3	H6	103.406	O2	H1	O3	175.363
H5	O3	H6	103.361

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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