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	hartrees
Energy at 0K	-152.561397
Energy at 298.15K	-152.564201
HF Energy	-152.119319
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.573329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3946	3740	82.70
2	A'	3849	3648	13.38
3	A'	3769	3572	258.32
4	A'	1650	1564	46.42
5	A'	1622	1537	72.99
6	A'	373	353	135.72
7	A'	186	177	117.32
8	A'	167	159	164.62
9	A"	3968	3761	76.50
10	A"	644	610	180.00
11	A"	154	146	165.64
12	A"	124	118	27.58

Atom	x (Å)	y (Å)	z (Å)
H1	0.173	0.540	0.000
O2	0.005	1.494	0.000
O3	0.005	-1.402	0.000
H4	0.884	1.880	0.000
H5	-0.565	-1.577	0.757
H6	-0.565	-1.577	-0.757

	H1	O2	O3	H4	H5	H6
H1		0.9682	1.9501	1.5165	2.3667	2.3667
O2	0.9682		2.8963	0.9600	3.2137	3.2137
O3	1.9501	2.8963		3.3981	0.9637	0.9637
H4	1.5165	0.9600	3.3981		3.8241	3.8241
H5	2.3667	3.2137	0.9637	3.8241		1.5141
H6	2.3667	3.2137	0.9637	3.8241	1.5141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.717	H1	O3	H5	103.382
H1	O3	H6	103.382	O2	H1	O3	165.047
H5	O3	H6	103.553

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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