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	hartrees
Energy at 0K	-152.469233
Energy at 298.15K	-152.472024
HF Energy	-152.061177
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.662534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3939	3752	75.72
2	A'	3836	3654	15.73
3	A'	3784	3604	229.17
4	A'	1713	1631	49.94
5	A'	1673	1594	64.27
6	A'	405	386	42.24
7	A'	195	186	39.71
8	A'	151	144	291.69
9	A"	3950	3763	60.25
10	A"	667	636	120.01
11	A"	174	166	116.51
12	A"	80	76	71.03

Atom	x (Å)	y (Å)	z (Å)
H1	0.170	0.536	0.000
O2	0.006	1.492	0.000
O3	0.006	-1.400	0.000
H4	0.900	1.849	0.000
H5	-0.581	-1.560	0.752
H6	-0.581	-1.560	-0.752

	H1	O2	O3	H4	H5	H6
H1		0.9698	1.9432	1.5019	2.3502	2.3502
O2	0.9698		2.8919	0.9629	3.1974	3.1974
O3	1.9432	2.8919		3.3699	0.9667	0.9667
H4	1.5019	0.9629	3.3699		3.7920	3.7920
H5	2.3502	3.1974	0.9667	3.7920		1.5034
H6	2.3502	3.1974	0.9667	3.7920	1.5034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	101.993	H1	O3	H5	102.492
H1	O3	H6	102.492	O2	H1	O3	165.358
H5	O3	H6	102.079

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

using model chemistry: MP2/cc-pVDZ

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-pVDZ

States and conformations

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