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	hartrees
Energy at 0K	-152.539152
Energy at 298.15K	-152.541872
HF Energy	-152.101156
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.775895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3984	3786	65.46
2	A'	3892	3698	12.18
3	A'	3835	3644	230.91
4	A'	1703	1619	41.93
5	A'	1658	1575	65.05
6	A'	385	366	76.10
7	A'	190	181	2.37
8	A'	144	137	328.98
9	A"	3999	3800	59.68
10	A"	652	619	154.78
11	A"	155	147	153.57
12	A"	83	78	38.28

Atom	x (Å)	y (Å)	z (Å)
H1	0.068	0.551	0.000
O2	0.004	1.512	0.000
O3	0.004	-1.387	0.000
H4	0.922	1.779	0.000
H5	-0.524	-1.663	0.753
H6	-0.524	-1.663	-0.753

	H1	O2	O3	H4	H5	H6
H1		0.9635	1.9391	1.4966	2.4117	2.4117
O2	0.9635		2.8993	0.9570	3.3051	3.3051
O3	1.9391	2.8993		3.2974	0.9593	0.9593
H4	1.4966	0.9570	3.2974		3.8088	3.8088
H5	2.4117	3.3051	0.9593	3.8088		1.5050
H6	2.4117	3.3051	0.9593	3.8088	1.5050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	102.396	H1	O3	H5	107.776
H1	O3	H6	107.776	O2	H1	O3	174.257
H5	O3	H6	103.345

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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