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	hartrees
Energy at 0K	-152.585007
Energy at 298.15K	-152.587794
HF Energy	-152.119175
Nuclear repulsion energy	36.531525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3911	3767
2	A'	3827	3686
3	A'	3767	3629
4	A'	1665	1604
5	A'	1638	1577
6	A'	377	363
7	A'	186	179
8	A'	170	164
9	A"	3932	3787
10	A"	631	608
11	A"	148	143
12	A"	118	114

Atom	x (Å)	y (Å)	z (Å)
H1	0.049	0.563	0.000
O2	-0.005	1.529	0.000
O3	-0.005	-1.381	0.000
H4	0.915	1.807	0.000
H5	-0.444	-1.778	0.759
H6	-0.444	-1.778	-0.759

	H1	O2	O3	H4	H5	H6
H1		0.9675	1.9443	1.5160	2.5100	2.5100
O2	0.9675		2.9096	0.9612	3.4215	3.4215
O3	1.9443	2.9096		3.3176	0.9628	0.9628
H4	1.5160	0.9612	3.3176		3.9086	3.9086
H5	2.5100	3.4215	0.9628	3.9086		1.5175
H6	2.5100	3.4215	0.9628	3.9086	1.5175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.624	H1	O3	H5	115.177
H1	O3	H6	115.177	O2	H1	O3	175.246
H5	O3	H6	104.001

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

using model chemistry: QCISD(T)/TZVP

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(T)/TZVP

States and conformations

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