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	hartrees
Energy at 0K	-151.451758
Energy at 298.15K	-151.455094
HF Energy	-151.186751
Counterpoise corrected energy	-151.451758
CP Energy at 298.15K	-151.455094
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.766321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3567	3460
2	A'	3463	3358
3	A'	3415	3312
4	A'	1787	1733
5	A'	1721	1669
6	A'	523	507
7	A'	278	269
8	A'	217	211
9	A"	3601	3492
10	A"	828	803
11	A"	227	220
12	A"	133	129

Atom	x (Å)	y (Å)	z (Å)
H1	0.098	0.467	0.000
O2	0.006	1.459	0.000
O3	0.006	-1.359	0.000
H4	0.935	1.807	0.000
H5	-0.567	-1.537	0.792
H6	-0.567	-1.537	-0.792

	H1	O2	O3	H4	H5	H6
H1		0.9965	1.8276	1.5802	2.2550	2.2550
O2	0.9965		2.8176	0.9916	3.1516	3.1516
O3	1.8276	2.8176		3.2994	0.9935	0.9935
H4	1.5802	0.9916	3.2994		3.7508	3.7508
H5	2.2550	3.1516	0.9935	3.7508		1.5833
H6	2.2550	3.1516	0.9935	3.7508	1.5833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.273	H1	O3	H5	102.048
H1	O3	H6	102.048	O2	H1	O3	171.813
H5	O3	H6	105.659

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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