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	hartrees
Energy at 0K	-152.752059
Energy at 298.15K	-152.754732
HF Energy	-152.594859
Nuclear repulsion energy	36.903793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3929	3929	67.85
2	A'	3834	3834	11.90
3	A'	3753	3753	266.11
4	A'	1712	1712	55.97
5	A'	1679	1679	79.56
6	A'	428	428	37.39
7	A'	215	215	130.69
8	A'	149	149	196.70
9	A"	3941	3941	60.73
10	A"	648	648	89.75
11	A"	165	165	143.63
12	A"	9	9	38.82

Atom	x (Å)	y (Å)	z (Å)
H1	0.143	0.529	0.000
O2	0.007	1.486	0.000
O3	0.007	-1.404	0.000
H4	0.895	1.845	0.000
H5	-0.574	-1.514	0.757
H6	-0.574	-1.514	-0.757

	H1	O2	O3	H4	H5	H6
H1		0.9661	1.9384	1.5150	2.2943	2.2943
O2	0.9661		2.8900	0.9581	3.1479	3.1479
O3	1.9384	2.8900		3.3681	0.9609	0.9609
H4	1.5150	0.9581	3.3681		3.7433	3.7433
H5	2.2943	3.1479	0.9609	3.7433		1.5148
H6	2.2943	3.1479	0.9609	3.7433	1.5148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.872	H1	O3	H5	99.000
H1	O3	H6	99.000	O2	H1	O3	167.839
H5	O3	H6	104.033

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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