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	hartrees
Energy at 0K	-152.692966
Energy at 298.15K	-152.695722
HF Energy	-152.126140
Counterpoise corrected energy	-152.126231
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.549307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3892	3775
2	A'	3805	3691
3	A'	3732	3619
4	A'	1667	1617
5	A'	1646	1597
6	A'	359	348
7	A'	184	179
8	A'	155	150
9	A"	3911	3793
10	A"	622	603
11	A"	143	139
12	A"	132	128

Atom	x (Å)	y (Å)	z (Å)
H1	0.096	0.556	0.000
O2	0.000	1.519	0.000
O3	0.000	-1.394	0.000
H4	0.902	1.851	0.000
H5	-0.500	-1.705	0.761
H6	-0.500	-1.705	-0.761

	H1	O2	O3	H4	H5	H6
H1		0.9677	1.9531	1.5252	2.4591	2.4591
O2	0.9677		2.9138	0.9608	3.3503	3.3503
O3	1.9531	2.9138		3.3685	0.9624	0.9624
H4	1.5252	0.9608	3.3685		3.8973	3.8973
H5	2.4591	3.3503	0.9624	3.8973		1.5228
H6	2.4591	3.3503	0.9624	3.8973	1.5228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.531	H1	O3	H5	110.328
H1	O3	H6	110.328	O2	H1	O3	171.528
H5	O3	H6	104.580

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

using model chemistry: CCSD(T)/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: CCSD(T)/aug-cc-pVTZ

States and conformations

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