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	hartrees
Energy at 0K	-152.450801
Energy at 298.15K	-152.453600
HF Energy	-152.054192
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.690446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3998	3744	78.81
2	A'	3877	3630	13.20
3	A'	3818	3575	204.46
4	A'	1715	1606	74.58
5	A'	1680	1573	78.25
6	A'	426	399	36.07
7	A'	203	191	159.59
8	A'	144	135	249.72
9	A"	4007	3753	60.46
10	A"	660	618	141.00
11	A"	162	152	164.68
12	A"	91	85	57.17

Atom	x (Å)	y (Å)	z (Å)
H1	0.155	0.542	0.000
O2	0.007	1.497	0.000
O3	0.007	-1.418	0.000
H4	0.891	1.871	0.000
H5	-0.576	-1.526	0.760
H6	-0.576	-1.526	-0.760

	H1	O2	O3	H4	H5	H6
H1		0.9675	1.9647	1.5197	2.3209	2.3209
O2	0.9675		2.9150	0.9605	3.1714	3.1714
O3	1.9647	2.9150		3.4056	0.9634	0.9634
H4	1.5197	0.9605	3.4056		3.7776	3.7776
H5	2.3209	3.1714	0.9634	3.7776		1.5194
H6	2.3209	3.1714	0.9634	3.7776	1.5194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.047	H1	O3	H5	99.094
H1	O3	H6	99.094	O2	H1	O3	166.802
H5	O3	H6	104.105

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)