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	hartrees
Energy at 0K	-152.712904
Energy at 298.15K	-152.715703
HF Energy	-152.583456
Nuclear repulsion energy	36.868011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3938	3938	60.04
2	A'	3837	3837	10.85
3	A'	3756	3756	236.01
4	A'	1709	1709	70.86
5	A'	1675	1675	74.02
6	A'	437	437	33.35
7	A'	216	216	151.95
8	A'	145	145	251.44
9	A"	3954	3954	52.44
10	A"	669	669	127.14
11	A"	169	169	176.15
12	A"	67	67	41.04

Atom	x (Å)	y (Å)	z (Å)
H1	0.161	0.525	0.000
O2	0.007	1.482	0.000
O3	0.007	-1.406	0.000
H4	0.890	1.862	0.000
H5	-0.578	-1.496	0.761
H6	-0.578	-1.496	-0.761

	H1	O2	O3	H4	H5	H6
H1		0.9692	1.9370	1.5226	2.2822	2.2822
O2	0.9692		2.8876	0.9613	3.1283	3.1283
O3	1.9370	2.8876		3.3849	0.9640	0.9640
H4	1.5226	0.9613	3.3849		3.7426	3.7426
H5	2.2822	3.1283	0.9640	3.7426		1.5216
H6	2.2822	3.1283	0.9640	3.7426	1.5216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.121	H1	O3	H5	98.120
H1	O3	H6	98.120	O2	H1	O3	166.260
H5	O3	H6	104.232

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

using model chemistry: B2PLYP=FULL/6-31G**

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: B2PLYP=FULL/6-31G**

States and conformations

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