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	hartrees
Energy at 0K	-152.704033
Energy at 298.15K	-152.706759
HF Energy	-152.135472
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.703739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3946	3742	104.51
2	A'	3844	3646	12.70
3	A'	3756	3562	282.31
4	A'	1666	1580	41.15
5	A'	1641	1556	84.94
6	A'	366	347	53.37
7	A'	183	173	71.54
8	A'	146	138	223.45
9	A"	3963	3758	93.61
10	A"	634	601	103.97
11	A"	135	128	174.70
12	A"	127	121	2.09

Atom	x (Å)	y (Å)	z (Å)
H1	0.086	0.552	0.000
O2	0.001	1.513	0.000
O3	0.001	-1.390	0.000
H4	0.904	1.830	0.000
H5	-0.507	-1.684	0.758
H6	-0.507	-1.684	-0.758

	H1	O2	O3	H4	H5	H6
H1		0.9647	1.9443	1.5171	2.4346	2.4346
O2	0.9647		2.9035	0.9568	3.3251	3.3251
O3	1.9443	2.9035		3.3441	0.9588	0.9588
H4	1.5171	0.9568	3.3441		3.8617	3.8617
H5	2.4346	3.3251	0.9588	3.8617		1.5162
H6	2.4346	3.3251	0.9588	3.8617	1.5162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.284	H1	O3	H5	109.225
H1	O3	H6	109.225	O2	H1	O3	172.479
H5	O3	H6	104.492

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

using model chemistry: MP2/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/cc-pVQZ

States and conformations

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