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	hartrees
Energy at 0K	-152.677404
Energy at 298.15K	-152.680217
HF Energy	-152.677404
Nuclear repulsion energy	37.152050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3879	3689	55.19
2	A'	3784	3599	15.12
3	A'	3667	3487	304.76
4	A'	1751	1665	80.25
5	A'	1718	1634	79.26
6	A'	464	441	33.13
7	A'	241	229	154.65
8	A'	148	140	273.26
9	A"	3903	3711	59.66
10	A"	705	671	132.41
11	A"	174	166	201.28
12	A"	31	30	29.06

Atom	x (Å)	y (Å)	z (Å)
H1	0.167	0.495	0.000
O2	0.007	1.456	0.000
O3	0.007	-1.382	0.000
H4	0.891	1.840	0.000
H5	-0.582	-1.462	0.762
H6	-0.582	-1.462	-0.762

	H1	O2	O3	H4	H5	H6
H1		0.9744	1.8841	1.5276	2.2295	2.2295
O2	0.9744		2.8385	0.9639	3.0728	3.0728
O3	1.8841	2.8385		3.3416	0.9665	0.9665
H4	1.5276	0.9639	3.3416		3.6950	3.6950
H5	2.2295	3.0728	0.9665	3.6950		1.5247
H6	2.2295	3.0728	0.9665	3.6950	1.5247

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

using model chemistry: HSEh1PBE/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: HSEh1PBE/6-31G*

States and conformations

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