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	hartrees
Energy at 0K	-76.058253
Energy at 298.15K	-76.060906
HF Energy	-76.058253
Nuclear repulsion energy	9.174672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3961	3763	114.18
2	A'	3865	3672	16.29
3	A'	3787	3597	268.10
4	A'	1652	1570	39.91
5	A'	1633	1552	85.82
6	A'	341	324	62.89
7	A'	172	163	142.51
8	A'	143	136	149.35
9	A"	3977	3778	98.22
10	A"	600	570	110.24
11	A"	144	137	110.82
12	A"	117	112	67.49

Atom	x (Å)	y (Å)	z (Å)
H1	0.088	0.582	0.000
O2	-0.002	1.543	0.000
O3	-0.002	-1.411	0.000
H4	0.900	1.866	0.000
H5	-0.481	-1.751	0.758
H6	-0.481	-1.751	-0.758

	H1	O2	O3	H4	H5	H6
H1		0.9649	1.9957	1.5190	2.5183	2.5183
O2	0.9649		2.9543	0.9576	3.4137	3.4137
O3	1.9957	2.9543		3.3992	0.9593	0.9593
H4	1.5190	0.9576	3.3992		3.9451	3.9451
H5	2.5183	3.4137	0.9593	3.9451		1.5169
H6	2.5183	3.4137	0.9593	3.9451	1.5169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.399	H1	O3	H5	112.074
H1	O3	H6	112.074	O2	H1	O3	172.102
H5	O3	H6	104.489

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

using model chemistry: MP2_cp_opt/6-311+G(3df,2pd)

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/6-311+G(3df,2pd)

States and conformations

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