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	hartrees
Energy at 0K	-152.530207
Energy at 298.15K	-152.532965
HF Energy	-152.087427
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.452293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3904	3744	113.66
2	A'	3796	3640	10.30
3	A'	3704	3552	280.60
4	A'	1643	1575	32.34
5	A'	1624	1558	85.94
6	A'	358	344	53.80
7	A'	184	176	118.98
8	A'	148	142	161.11
9	A"	3925	3764	88.24
10	A"	639	613	91.32
11	A"	151	145	57.85
12	A"	127	122	114.38

Atom	x (Å)	y (Å)	z (Å)
H1	0.094	0.554	0.000
O2	0.000	1.522	0.000
O3	0.000	-1.394	0.000
H4	0.908	1.849	0.000
H5	-0.501	-1.713	0.763
H6	-0.501	-1.713	-0.763

	H1	O2	O3	H4	H5	H6
H1		0.9728	1.9505	1.5298	2.4646	2.4646
O2	0.9728		2.9166	0.9648	3.3614	3.3614
O3	1.9505	2.9166		3.3681	0.9666	0.9666
H4	1.5298	0.9648	3.3681		3.9058	3.9058
H5	2.4646	3.3614	0.9666	3.9058		1.5254
H6	2.4646	3.3614	0.9666	3.9058	1.5254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.275	H1	O3	H5	110.738
H1	O3	H6	110.738	O2	H1	O3	171.713
H5	O3	H6	104.188

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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