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	hartrees
Energy at 0K	-152.683665
Energy at 298.15K	-152.686419
HF Energy	-152.560393
Nuclear repulsion energy	36.870470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3856	3657	66.00
2	A'	3750	3557	12.39
3	A'	3677	3487	234.88
4	A'	1758	1667	85.98
5	A'	1726	1637	73.84
6	A'	453	430	28.35
7	A'	228	216	167.42
8	A'	135	128	274.12
9	A"	3872	3672	53.47
10	A"	682	647	138.16
11	A"	167	159	202.42
12	A"	36	34	28.46

Atom	x (Å)	y (Å)	z (Å)
H1	0.171	0.530	0.000
O2	0.005	1.489	0.000
O3	0.005	-1.401	0.000
H4	0.888	1.881	0.000
H5	-0.569	-1.559	0.765
H6	-0.569	-1.559	-0.765

	H1	O2	O3	H4	H5	H6
H1		0.9739	1.9381	1.5292	2.3446	2.3446
O2	0.9739		2.8905	0.9662	3.1949	3.1949
O3	1.9381	2.8905		3.3985	0.9694	0.9694
H4	1.5292	0.9662	3.3985		3.8131	3.8131
H5	2.3446	3.1949	0.9694	3.8131		1.5304
H6	2.3446	3.1949	0.9694	3.8131	1.5304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.037	H1	O3	H5	102.312
H1	O3	H6	102.312	O2	H1	O3	165.221
H5	O3	H6	104.258

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G*

States and conformations

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