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	hartrees
Energy at 0K	-152.473925
Energy at 298.15K	-152.476725
HF Energy	-152.061259
Counterpoise corrected energy	-152.473925
CP Energy at 298.15K	-152.476725
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.685499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3942	3747	76.16
2	A'	3839	3649	15.73
3	A'	3786	3599	231.22
4	A'	1714	1629	50.08
5	A'	1674	1591	64.64
6	A'	405	385	42.90
7	A'	196	186	38.03
8	A'	153	145	292.36
9	A"	3954	3758	60.80
10	A"	670	636	120.46
11	A"	175	166	114.75
12	A"	82	78	72.72

Atom	x (Å)	y (Å)	z (Å)
H1	0.088	0.539	0.000
O2	0.008	1.506	0.000
O3	0.008	-1.401	0.000
H4	0.931	1.781	0.000
H5	-0.570	-1.582	0.753
H6	-0.570	-1.582	-0.753

	H1	O2	O3	H4	H5	H6
H1		0.9701	1.9417	1.5012	2.3449	2.3449
O2	0.9701		2.9067	0.9636	3.2302	3.2302
O3	1.9417	2.9067		3.3134	0.9664	0.9664
H4	1.5012	0.9636	3.3134		3.7591	3.7591
H5	2.3449	3.2302	0.9664	3.7591		1.5061
H6	2.3449	3.2302	0.9664	3.7591	1.5061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	101.852	H1	O3	H5	102.223
H1	O3	H6	102.223	O2	H1	O3	172.867
H5	O3	H6	102.379

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

using model chemistry: MP2=FULL/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=FULL/cc-pVDZ

States and conformations

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