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	hartrees
Energy at 0K	-76.009734
Energy at 298.15K	-76.012541
HF Energy	-76.009734
Nuclear repulsion energy	9.077716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3663	85.51
2	A'	3775	3559	9.49
3	A'	3716	3505	198.66
4	A'	1771	1670	85.34
5	A'	1736	1637	103.56
6	A'	375	353	110.32
7	A'	193	182	175.00
8	A'	156	147	160.70
9	A"	3908	3686	61.25
10	A"	645	608	201.12
11	A"	165	156	31.10
12	A"	128	121	172.31

Atom	x (Å)	y (Å)	z (Å)
H1	0.049	0.585	0.000
O2	-0.001	1.559	0.000
O3	-0.001	-1.418	0.000
H4	0.925	1.839	0.000
H5	-0.477	-1.775	0.766
H6	-0.477	-1.775	-0.766

	H1	O2	O3	H4	H5	H6
H1		0.9749	2.0039	1.5291	2.5362	2.5362
O2	0.9749		2.9769	0.9677	3.4532	3.4532
O3	2.0039	2.9769		3.3858	0.9696	0.9696
H4	1.5291	0.9677	3.3858		3.9506	3.9506
H5	2.5362	3.4532	0.9696	3.9506		1.5318
H6	2.5362	3.4532	0.9696	3.9506	1.5318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.838	H1	O3	H5	112.327
H1	O3	H6	112.327	O2	H1	O3	175.594
H5	O3	H6	104.351

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

using model chemistry: MP2_cp_opt/6-31G*

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/6-31G*

States and conformations

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