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	hartrees
Energy at 0K	-152.427103
Energy at 298.15K	-152.429907
HF Energy	-152.028370
Nuclear repulsion energy	36.313823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3665	91.56
2	A'	3750	3562	12.43
3	A'	3726	3539	150.03
4	A'	1778	1689	84.78
5	A'	1744	1656	88.43
6	A'	420	399	49.60
7	A'	204	194	163.36
8	A'	146	139	243.59
9	A"	3868	3674	47.99
10	A"	653	621	169.05
11	A"	158	150	153.67
12	A"	104	98	70.35

Atom	x (Å)	y (Å)	z (Å)
H1	0.045	0.558	0.000
O2	0.008	1.529	0.000
O3	0.008	-1.416	0.000
H4	0.936	1.805	0.000
H5	-0.555	-1.634	0.763
H6	-0.555	-1.634	-0.763

	H1	O2	O3	H4	H5	H6
H1		0.9716	1.9741	1.5331	2.3977	2.3977
O2	0.9716		2.9447	0.9686	3.3025	3.3025
O3	1.9741	2.9447		3.3519	0.9730	0.9730
H4	1.5331	0.9686	3.3519		3.8258	3.8258
H5	2.3977	3.3025	0.9730	3.8258		1.5259
H6	2.3977	3.3025	0.9730	3.8258	1.5259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.408	H1	O3	H5	103.621
H1	O3	H6	103.621	O2	H1	O3	176.787
H5	O3	H6	103.270

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

using model chemistry: CCSD=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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