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	hartrees
Energy at 0K	-152.420799
Energy at 298.15K	-152.423629
HF Energy	-152.028823
Nuclear repulsion energy	36.429499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3904	3663	88.74
2	A'	3804	3570	13.44
3	A'	3768	3535	178.07
4	A'	1784	1674	88.03
5	A'	1748	1640	93.39
6	A'	421	395	54.30
7	A'	207	194	158.71
8	A'	150	141	248.12
9	A"	3917	3675	56.98
10	A"	661	620	175.04
11	A"	157	147	147.34
12	A"	110	103	77.21

Atom	x (Å)	y (Å)	z (Å)
H1	0.171	0.548	0.000
O2	0.005	1.505	0.000
O3	0.005	-1.417	0.000
H4	0.885	1.903	0.000
H5	-0.565	-1.579	0.767
H6	-0.565	-1.579	-0.767

	H1	O2	O3	H4	H5	H6
H1		0.9720	1.9712	1.5316	2.3778	2.3778
O2	0.9720		2.9217	0.9659	3.2289	3.2289
O3	1.9712	2.9217		3.4342	0.9691	0.9691
H4	1.5316	0.9659	3.4342		3.8491	3.8491
H5	2.3778	3.2289	0.9691	3.8491		1.5336
H6	2.3778	3.2289	0.9691	3.8491	1.5336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.427	H1	O3	H5	102.531
H1	O3	H6	102.531	O2	H1	O3	165.259
H5	O3	H6	104.611

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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