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	hartrees
Energy at 0K	-152.561283
Energy at 298.15K	-152.564115
HF Energy	-152.087440
Nuclear repulsion energy	36.408951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3875	3875
2	A'	3782	3782
3	A'	3713	3713
4	A'	1663	1663
5	A'	1640	1640
6	A'	370	370
7	A'	186	186
8	A'	157	157
9	A"	3894	3894
10	A"	634	634
11	A"	165	165
12	A"	143	143

Atom	x (Å)	y (Å)	z (Å)
H1	0.101	0.557	0.000
O2	0.001	1.524	0.000
O3	0.001	-1.400	0.000
H4	0.906	1.858	0.000
H5	-0.509	-1.704	0.763
H6	-0.509	-1.704	-0.763

	H1	O2	O3	H4	H5	H6
H1		0.9720	1.9595	1.5299	2.4637	2.4637
O2	0.9720		2.9237	0.9654	3.3563	3.3563
O3	1.9595	2.9237		3.3814	0.9669	0.9669
H4	1.5299	0.9654	3.3814		3.9086	3.9086
H5	2.4637	3.3563	0.9669	3.9086		1.5262
H6	2.4637	3.3563	0.9669	3.9086	1.5262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.305	H1	O3	H5	109.985
H1	O3	H6	109.985	O2	H1	O3	171.106
H5	O3	H6	104.225

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

using model chemistry: QCISD(TQ)=FULL/aug-cc-pVDZ

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: QCISD(TQ)=FULL/aug-cc-pVDZ

States and conformations

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