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	hartrees
Energy at 0K	-152.711953
Energy at 298.15K	-152.714688
HF Energy	-152.137254
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.615911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3933	3735	116.46
2	A'	3832	3639	11.93
3	A'	3735	3547	293.57
4	A'	1653	1570	36.45
5	A'	1634	1551	89.78
6	A'	355	337	52.86
7	A'	183	174	130.84
8	A'	152	144	152.51
9	A"	3953	3754	100.23
10	A"	625	593	93.97
11	A"	147	139	86.41
12	A"	124	118	82.65

Atom	x (Å)	y (Å)	z (Å)
H1	0.096	0.557	0.000
O2	-0.001	1.518	0.000
O3	-0.001	-1.390	0.000
H4	0.897	1.852	0.000
H5	-0.488	-1.717	0.760
H6	-0.488	-1.717	-0.760

	H1	O2	O3	H4	H5	H6
H1		0.9662	1.9492	1.5227	2.4678	2.4678
O2	0.9662		2.9080	0.9579	3.3589	3.3589
O3	1.9492	2.9080		3.3642	0.9597	0.9597
H4	1.5227	0.9579	3.3642		3.9032	3.9032
H5	2.4678	3.3589	0.9597	3.9032		1.5194
H6	2.4678	3.3589	0.9597	3.9032	1.5194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.627	H1	O3	H5	111.472
H1	O3	H6	111.472	O2	H1	O3	171.348
H5	O3	H6	104.671

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

using model chemistry: MP2/aug-cc-pVQZ

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-pVQZ

States and conformations

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