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	hartrees
Energy at 0K	-152.498545
Energy at 298.15K	-152.501376
HF Energy	-152.073708
Counterpoise corrected energy	-152.498545
CP Energy at 298.15K	-152.501376
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.851076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3937	3769	75.93
2	A'	3843	3679	1.47
3	A'	3811	3648	138.24
4	A'	1794	1718	86.96
5	A'	1755	1680	110.52
6	A'	403	386	111.51
7	A'	205	197	17.78
8	A'	151	145	373.34
9	A"	3959	3791	36.16
10	A"	704	674	223.72
11	A"	171	164	200.77
12	A"	90	86	28.35

Atom	x (Å)	y (Å)	z (Å)
H1	0.134	0.548	0.000
O2	0.004	1.502	0.000
O3	0.004	-1.410	0.000
H4	0.879	1.894	0.000
H5	-0.542	-1.589	0.771
H6	-0.542	-1.589	-0.771

	H1	O2	O3	H4	H5	H6
H1		0.9624	1.9622	1.5383	2.3707	2.3707
O2	0.9624		2.9115	0.9585	3.2322	3.2322
O3	1.9622	2.9115		3.4178	0.9619	0.9619
H4	1.5383	0.9585	3.4178		3.8404	3.8404
H5	2.3707	3.2322	0.9619	3.8404		1.5419
H6	2.3707	3.2322	0.9619	3.8404	1.5419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.416	H1	O3	H5	102.935
H1	O3	H6	102.935	O2	H1	O3	168.435
H5	O3	H6	106.539

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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