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	hartrees
Energy at 0K	-76.030310
Energy at 298.15K	-76.032911
HF Energy	-76.030310
Nuclear repulsion energy	9.128980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3983	3747	124.31
2	A'	3864	3635	16.43
3	A'	3805	3579	206.61
4	A'	1650	1552	66.03
5	A'	1633	1536	112.14
6	A'	335	315	109.17
7	A'	170	160	156.29
8	A'	129	121	211.51
9	A"	4006	3768	88.90
10	A"	596	561	186.74
11	A"	152	143	182.89
12	A"	102	96	39.68

Atom	x (Å)	y (Å)	z (Å)
H1	0.078	0.607	0.000
O2	-0.004	1.572	0.000
O3	-0.004	-1.435	0.000
H4	0.897	1.909	0.000
H5	-0.452	-1.806	0.769
H6	-0.452	-1.806	-0.769

	H1	O2	O3	H4	H5	H6
H1		0.9688	2.0434	1.5379	2.5870	2.5870
O2	0.9688		3.0070	0.9623	3.4929	3.4929
O3	2.0434	3.0070		3.4629	0.9638	0.9638
H4	1.5379	0.9623	3.4629		4.0259	4.0259
H5	2.5870	3.4929	0.9638	4.0259		1.5372
H6	2.5870	3.4929	0.9638	4.0259	1.5372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.574	H1	O3	H5	113.777
H1	O3	H6	113.777	O2	H1	O3	172.785
H5	O3	H6	105.775

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

using model chemistry: MP2_cp_opt/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: MP2_cp_opt/6-31+G**

States and conformations

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