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	hartrees
Energy at 0K	-151.444168
Energy at 298.15K	-151.447479
HF Energy	-151.187732
Nuclear repulsion energy	36.828633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3634	3634	60.41
2	A'	3548	3548	1.79
3	A'	3488	3488	201.17
4	A'	1800	1800	60.65
5	A'	1736	1736	68.16
6	A'	513	513	70.44
7	A'	269	269	197.82
8	A'	215	215	245.49
9	A"	3678	3678	7.93
10	A"	826	826	203.15
11	A"	221	221	35.17
12	A"	140	140	195.55

Atom	x (Å)	y (Å)	z (Å)
H1	0.083	0.474	0.000
O2	0.005	1.463	0.000
O3	0.005	-1.354	0.000
H4	0.930	1.805	0.000
H5	-0.545	-1.574	0.791
H6	-0.545	-1.574	-0.791

	H1	O2	O3	H4	H5	H6
H1		0.9918	1.8295	1.5776	2.2830	2.2830
O2	0.9918		2.8165	0.9867	3.1852	3.1852
O3	1.8295	2.8165		3.2915	0.9877	0.9877
H4	1.5776	0.9867	3.2915		3.7703	3.7703
H5	2.2830	3.1852	0.9877	3.7703		1.5811
H6	2.2830	3.1852	0.9877	3.7703	1.5811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.761	H1	O3	H5	104.246
H1	O3	H6	104.246	O2	H1	O3	173.009
H5	O3	H6	106.330

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

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G*

States and conformations

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