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	hartrees
Energy at 0K	-152.410273
Energy at 298.15K	-152.413122
HF Energy	-152.028294
Counterpoise corrected energy	-152.410273
CP Energy at 298.15K	-152.413122
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.554561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3885	3661	90.12
2	A'	3763	3545	15.72
3	A'	3709	3495	219.59
4	A'	1768	1666	88.25
5	A'	1732	1632	89.14
6	A'	438	412	41.78
7	A'	214	202	167.74
8	A'	148	140	261.78
9	A"	3895	3670	68.15
10	A"	681	642	163.81
11	A"	162	153	174.02
12	A"	98	92	59.11

Atom	x (Å)	y (Å)	z (Å)
H1	0.151	0.535	0.000
O2	0.006	1.499	0.000
O3	0.006	-1.414	0.000
H4	0.899	1.873	0.000
H5	-0.575	-1.543	0.766
H6	-0.575	-1.543	-0.766

	H1	O2	O3	H4	H5	H6
H1		0.9750	1.9539	1.5329	2.3308	2.3308
O2	0.9750		2.9127	0.9675	3.1906	3.1906
O3	1.9539	2.9127		3.4057	0.9706	0.9706
H4	1.5329	0.9675	3.4057		3.7987	3.7987
H5	2.3308	3.1906	0.9706	3.7987		1.5322
H6	2.3308	3.1906	0.9706	3.7987	1.5322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.204	H1	O3	H5	100.216
H1	O3	H6	100.216	O2	H1	O3	167.211
H5	O3	H6	104.242

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

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

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