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	hartrees
Energy at 0K	-152.673848
Energy at 298.15K	-152.676553
HF Energy	-152.120645
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.629260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3919	3820
2	A'	3832	3735
3	A'	3775	3680
4	A'	1695	1652
5	A'	1665	1623
6	A'	370	361
7	A'	183	178
8	A'	145	141
9	A"	3934	3834
10	A"	627	611
11	A"	140	137
12	A"	106	104

Atom	x (Å)	y (Å)	z (Å)
H1	0.081	0.556	0.000
O2	0.004	1.517	0.000
O3	0.004	-1.399	0.000
H4	0.913	1.819	0.000
H5	-0.525	-1.662	0.758
H6	-0.525	-1.662	-0.758

	H1	O2	O3	H4	H5	H6
H1		0.9649	1.9560	1.5130	2.4207	2.4207
O2	0.9649		2.9162	0.9586	3.3111	3.3111
O3	1.9560	2.9162		3.3440	0.9607	0.9607
H4	1.5130	0.9586	3.3440		3.8422	3.8422
H5	2.4207	3.3111	0.9607	3.8422		1.5151
H6	2.4207	3.3111	0.9607	3.8422	1.5151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.726	H1	O3	H5	107.200
H1	O3	H6	107.200	O2	H1	O3	173.119
H5	O3	H6	104.102

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

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

States and conformations

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