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	hartrees
Energy at 0K	-151.431546
Energy at 298.15K	-151.434852
HF Energy	-151.188135
Nuclear repulsion energy	36.872055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3673	3418	58.37
2	A'	3588	3339	0.14
3	A'	3526	3281	209.07
4	A'	1811	1685	64.54
5	A'	1747	1626	72.65
6	A'	512	476	75.43
7	A'	266	248	194.96
8	A'	214	199	251.46
9	A"	3717	3459	10.73
10	A"	826	769	211.05
11	A"	220	204	32.49
12	A"	142	132	200.75

Atom	x (Å)	y (Å)	z (Å)
H1	0.080	0.477	0.000
O2	0.004	1.463	0.000
O3	0.004	-1.353	0.000
H4	0.926	1.806	0.000
H5	-0.537	-1.583	0.790
H6	-0.537	-1.583	-0.790

	H1	O2	O3	H4	H5	H6
H1		0.9892	1.8307	1.5761	2.2903	2.2903
O2	0.9892		2.8155	0.9838	3.1928	3.1928
O3	1.8307	2.8155		3.2903	0.9849	0.9849
H4	1.5761	0.9838	3.2903		3.7749	3.7749
H5	2.2903	3.1928	0.9849	3.7749		1.5796
H6	2.2903	3.1928	0.9849	3.7749	1.5796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.029	H1	O3	H5	104.848
H1	O3	H6	104.848	O2	H1	O3	173.265
H5	O3	H6	106.624

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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