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	hartrees
Energy at 0K	-152.492450
Energy at 298.15K	-152.495303
HF Energy	-152.068844
Counterpoise corrected energy	-152.492450
CP Energy at 298.15K	-152.495303
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.317500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3978	3761	117.40
2	A'	3875	3664	9.84
3	A'	3829	3620	197.92
4	A'	1679	1588	66.02
5	A'	1658	1567	104.40
6	A'	360	341	132.67
7	A'	195	184	151.45
8	A'	165	156	141.04
9	A"	3998	3780	75.15
10	A"	653	617	195.23
11	A"	170	161	66.62
12	A"	141	133	136.99

Atom	x (Å)	y (Å)	z (Å)
H1	0.138	0.554	0.000
O2	0.005	1.513	0.000
O3	0.005	-1.418	0.000
H4	0.887	1.897	0.000
H5	-0.551	-1.608	0.767
H6	-0.551	-1.608	-0.767

	H1	O2	O3	H4	H5	H6
H1		0.9684	1.9762	1.5378	2.3951	2.3951
O2	0.9684		2.9309	0.9624	3.2614	3.2614
O3	1.9762	2.9309		3.4303	0.9657	0.9657
H4	1.5378	0.9624	3.4303		3.8653	3.8653
H5	2.3951	3.2614	0.9657	3.8653		1.5331
H6	2.3951	3.2614	0.9657	3.8653	1.5331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.580	H1	O3	H5	103.612
H1	O3	H6	103.612	O2	H1	O3	168.184
H5	O3	H6	105.086

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

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

States and conformations

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