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	hartrees
Energy at 0K	-75.585198
Energy at 298.15K	-75.588072
HF Energy	-75.585198
Nuclear repulsion energy	8.911136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3631	3466	48.37
2	A'	3537	3377	3.22
3	A'	3465	3307	139.24
4	A'	1769	1688	88.17
5	A'	1733	1654	51.29
6	A'	379	362	190.93
7	A'	192	184	25.17
8	A'	177	169	268.30
9	A"	3693	3525	4.93
10	A"	690	659	288.70
11	A"	183	174	68.30
12	A"	108	104	90.30

Atom	x (Å)	y (Å)	z (Å)
H1	-0.051	0.556	0.000
O2	-0.021	1.550	0.000
O3	-0.021	-1.367	0.000
H4	0.941	1.778	0.000
H5	-0.279	-1.902	0.789
H6	-0.279	-1.902	-0.789

	H1	O2	O3	H4	H5	H6
H1		0.9944	1.9231	1.5738	2.5913	2.5913
O2	0.9944		2.9169	0.9880	3.5501	3.5501
O3	1.9231	2.9169		3.2886	0.9873	0.9873
H4	1.5738	0.9880	3.2886		3.9561	3.9561
H5	2.5913	3.5501	0.9873	3.9561		1.5773
H6	2.5913	3.5501	0.9873	3.9561	1.5773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.099	H1	O3	H5	122.519
H1	O3	H6	122.519	O2	H1	O3	177.346
H5	O3	H6	106.032

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

using model chemistry: MP2_cp_opt/3-21G

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_cp_opt/3-21G

States and conformations

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