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	hartrees
Energy at 0K	-151.453320
Energy at 298.15K	-151.456652
HF Energy	-151.186617
Counterpoise corrected energy	-75.584026
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.715286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3547	3514
2	A'	3444	3411
3	A'	3402	3370
4	A'	1785	1768
5	A'	1719	1703
6	A'	521	516
7	A'	276	273
8	A'	218	216
9	A"	3581	3547
10	A"	824	816
11	A"	227	224
12	A"	134	132

Atom	x (Å)	y (Å)	z (Å)
H1	0.095	0.469	0.000
O2	0.006	1.462	0.000
O3	0.006	-1.360	0.000
H4	0.937	1.807	0.000
H5	-0.565	-1.546	0.792
H6	-0.565	-1.546	-0.792

	H1	O2	O3	H4	H5	H6
H1		0.9970	1.8311	1.5810	2.2635	2.2635
O2	0.9970		2.8221	0.9928	3.1627	3.1627
O3	1.8311	2.8221		3.3010	0.9943	0.9943
H4	1.5810	0.9928	3.3010		3.7586	3.7586
H5	2.2635	3.1627	0.9943	3.7586		1.5845
H6	2.2635	3.1627	0.9943	3.7586	1.5845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.226	H1	O3	H5	102.396
H1	O3	H6	102.396	O2	H1	O3	172.121
H5	O3	H6	105.643

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

using model chemistry: CCSD(T)/3-21G

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)/3-21G

States and conformations

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