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	hartrees
Energy at 0K	-152.571218
Energy at 298.15K	-152.573976
HF Energy	-152.119849
Counterpoise corrected energy	-152.571218
CP Energy at 298.15K	-152.573976
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.418332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3965	3759	80.95
2	A'	3882	3680	9.97
3	A'	3833	3633	198.37
4	A'	1680	1592	50.19
5	A'	1652	1566	72.12
6	A'	358	339	141.92
7	A'	179	170	152.27
8	A'	162	153	120.97
9	A"	3985	3778	61.33
10	A"	621	589	186.73
11	A"	152	144	143.85
12	A"	126	120	42.99

Atom	x (Å)	y (Å)	z (Å)
H1	0.200	0.554	0.000
O2	0.004	1.498	0.000
O3	0.004	-1.413	0.000
H4	0.868	1.912	0.000
H5	-0.565	-1.575	0.757
H6	-0.565	-1.575	-0.757

	H1	O2	O3	H4	H5	H6
H1		0.9641	1.9765	1.5133	2.3854	2.3854
O2	0.9641		2.9107	0.9581	3.2154	3.2154
O3	1.9765	2.9107		3.4350	0.9611	0.9611
H4	1.5133	0.9581	3.4350		3.8449	3.8449
H5	2.3854	3.2154	0.9611	3.8449		1.5148
H6	2.3854	3.2154	0.9611	3.8449	1.5148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.862	H1	O3	H5	103.083
H1	O3	H6	103.083	O2	H1	O3	162.582
H5	O3	H6	104.000

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

using model chemistry: CCD/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: CCD/TZVP

States and conformations

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