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	hartrees
Energy at 0K	-152.706430
Energy at 298.15K	-152.709268
Nuclear repulsion energy	36.403522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3756	74.86
2	A	3705	3663	10.47
3	A	3558	3517	371.76
4	A	1594	1576	39.20
5	A	1579	1561	112.62
6	A	392	387	58.68
7	A	201	198	251.11
8	A	155	153	146.79
9	A	3826	3782	71.33
10	A	654	646	135.43
11	A	157	155	124.78
12	A	132	131	103.54

Atom	x (Å)	y (Å)	z (Å)
H1	0.128	0.534	0.000
O2	0.002	1.509	0.000
O3	0.002	-1.398	0.000
H4	0.899	1.883	0.000
H5	-0.531	-1.653	0.774
H6	-0.531	-1.653	-0.774
X7	1.025	0.908	0.000
X8	-1.064	-1.908	0.000

	H1	O2	O3	H4	H5	H6	X7	X8
H1		0.9829	1.9358	1.5535	2.4114	2.4114	0.9717	2.7169
O2	0.9829		2.9065	0.9717	3.2982	3.2982	1.1864	3.5788
O3	1.9358	2.9065		3.4008	0.9737	0.9737	2.5223	1.1814
H4	1.5535	0.9717	3.4008		3.8913	3.8913	0.9829	4.2683
H5	2.4114	3.2982	0.9737	3.8913		1.5480	3.0945	0.9737
H6	2.4114	3.2982	0.9737	3.8913	1.5480		3.0945	0.9737
X7	0.9717	1.1864	2.5223	0.9829	3.0945	3.0945		3.5056
X8	2.7169	3.5788	1.1814	4.2683	0.9737	0.9737	3.5056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.261	H1	O3	H5	107.271
H1	O3	H6	107.271	O2	H1	O3	168.904
H5	O3	H6	105.302

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

using model chemistry: PBEPBEultrafine_cp_opt/6-31+G**

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: PBEPBEultrafine_cp_opt/6-31+G**

States and conformations

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