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	hartrees
Energy at 0K	-152.498757
Energy at 298.15K	-152.501630
HF Energy	-152.068614
Counterpoise corrected energy	-76.030309
CP Energy at 298.15K	-76.032874
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.406741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3959	3799
2	A'	3857	3702
3	A'	3803	3650
4	A'	1674	1607
5	A'	1651	1584
6	A'	374	359
7	A'	198	190
8	A'	168	161
9	A"	3983	3822
10	A"	664	637
11	A"	166	159
12	A"	141	135

Atom	x (Å)	y (Å)	z (Å)
H1	0.046	0.567	0.000
O2	-0.005	1.534	0.000
O3	-0.005	-1.390	0.000
H4	0.908	1.839	0.000
H5	-0.439	-1.778	0.768
H6	-0.439	-1.778	-0.768

	H1	O2	O3	H4	H5	H6
H1		0.9684	1.9577	1.5363	2.5152	2.5152
O2	0.9684		2.9242	0.9626	3.4280	3.4280
O3	1.9577	2.9242		3.3553	0.9640	0.9640
H4	1.5363	0.9626	3.3553		3.9355	3.9355
H5	2.5152	3.4280	0.9640	3.9355		1.5360
H6	2.5152	3.4280	0.9640	3.9355	1.5360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.421	H1	O3	H5	114.486
H1	O3	H6	114.486	O2	H1	O3	175.489
H5	O3	H6	105.626

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31+G**

States and conformations

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