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	hartrees
Energy at 0K	-76.060246
Energy at 298.15K	-76.062936
HF Energy	-76.060246
Nuclear repulsion energy	9.147764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3916	3721	117.32
2	A'	3815	3624	11.20
3	A'	3727	3541	271.12
4	A'	1648	1566	36.89
5	A'	1629	1548	87.17
6	A'	344	327	55.07
7	A'	178	169	137.29
8	A'	146	139	138.63
9	A"	3936	3739	96.53
10	A"	608	578	94.49
11	A"	144	136	88.72
12	A"	121	115	77.85

Atom	x (Å)	y (Å)	z (Å)
H1	0.092	0.568	0.000
O2	-0.001	1.532	0.000
O3	-0.001	-1.401	0.000
H4	0.901	1.860	0.000
H5	-0.485	-1.737	0.761
H6	-0.485	-1.737	-0.761

	H1	O2	O3	H4	H5	H6
H1		0.9683	1.9714	1.5244	2.4949	2.4949
O2	0.9683		2.9329	0.9604	3.3907	3.3907
O3	1.9714	2.9329		3.3836	0.9621	0.9621
H4	1.5244	0.9604	3.3836		3.9291	3.9291
H5	2.4949	3.3907	0.9621	3.9291		1.5217
H6	2.4949	3.3907	0.9621	3.9291	1.5217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.438	H1	O3	H5	111.862
H1	O3	H6	111.862	O2	H1	O3	171.751
H5	O3	H6	104.519

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

using model chemistry: MP2_cp_opt/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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